CID 16076327

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

Structural Information

Molecular Formula
C20H38N2
SMILES
C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NCCNC3CCCCCCC3
InChI
InChI=1S/C20H38N2/c1-19(2)16-11-12-20(19,3)18(15-16)22-14-13-21-17-9-7-5-4-6-8-10-17/h16-18,21-22H,4-15H2,1-3H3/t16-,18+,20+/m1/s1
InChIKey
ZTJFKDLONQTDPU-KPFFTGBYSA-N
Compound name
N-cyclooctyl-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

306.3035 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.31078 190.3
[M+Na]+ 329.29272 192.7
[M-H]- 305.29622 192.2
[M+NH4]+ 324.33732 200.3
[M+K]+ 345.26666 191.3
[M+H-H2O]+ 289.30076 185.9
[M+HCOO]- 351.30170 196.8
[M+CH3COO]- 365.31735 192.3
[M+Na-2H]- 327.27817 185.7
[M]+ 306.30295 186.8
[M]- 306.30405 186.8
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.