CID 16076492

N'-[(1r,2r,3r,5s)-2,6,6-trimethylnorpinan-3-yl]-n-undecyl-ethane-1,2-diamine

Structural Information

Molecular Formula
C23H46N2
SMILES
CCCCCCCCCCCNCCN[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C
InChI
InChI=1S/C23H46N2/c1-5-6-7-8-9-10-11-12-13-14-24-15-16-25-22-18-20-17-21(19(22)2)23(20,3)4/h19-22,24-25H,5-18H2,1-4H3/t19-,20+,21-,22-/m1/s1
InChIKey
MCJZUKAZVMQQBA-CIAFKFPVSA-N
Compound name
N'-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-N-undecylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.3661 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.37338 210.7
[M+Na]+ 373.35532 209.6
[M-H]- 349.35882 207.1
[M+NH4]+ 368.39992 223.2
[M+K]+ 389.32926 208.0
[M+H-H2O]+ 333.36336 199.3
[M+HCOO]- 395.36430 220.7
[M+CH3COO]- 409.37995 232.3
[M+Na-2H]- 371.34077 212.3
[M]+ 350.36555 223.8
[M]- 350.36665 223.8
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.