CID 16076549

N-octadecyl-n'-[(1r,2s,4r)-1,7,7-trimethylnorbornan-2-yl]ethane-1,2-diamine

Structural Information

Molecular Formula
C30H60N2
SMILES
CCCCCCCCCCCCCCCCCCNCCN[C@H]1C[C@H]2CC[C@@]1(C2(C)C)C
InChI
InChI=1S/C30H60N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31-24-25-32-28-26-27-21-22-30(28,4)29(27,2)3/h27-28,31-32H,5-26H2,1-4H3/t27-,28+,30+/m1/s1
InChIKey
RDQMJJWLDQQBFV-UNRZKBSHSA-N
Compound name
N-octadecyl-N'-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.47565 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.48293 222.5
[M+Na]+ 471.46487 221.3
[M-H]- 447.46837 221.6
[M+NH4]+ 466.50947 240.3
[M+K]+ 487.43881 214.4
[M+H-H2O]+ 431.47291 215.8
[M+HCOO]- 493.47385 238.4
[M+CH3COO]- 507.48950 244.7
[M+Na-2H]- 469.45032 218.4
[M]+ 448.47510 227.3
[M]- 448.47620 227.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.