CID 11392766

767291-67-8

Structural Information

Molecular Formula
C20H42N2
SMILES
CC(C)(C)CCN(C)[C@H]1CCCC[C@@H]1N(C)CCC(C)(C)C
InChI
InChI=1S/C20H42N2/c1-19(2,3)13-15-21(7)17-11-9-10-12-18(17)22(8)16-14-20(4,5)6/h17-18H,9-16H2,1-8H3/t17-,18-/m0/s1
InChIKey
VGCWVKVNKNXOGZ-ROUUACIJSA-N
Compound name
(1S,2S)-1-N,2-N-bis(3,3-dimethylbutyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

310.3348 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.34208 184.7
[M+Na]+ 333.32402 191.3
[M+NH4]+ 328.36862 191.9
[M+K]+ 349.29796 185.7
[M-H]- 309.32752 187.0
[M+Na-2H]- 331.30947 187.5
[M]+ 310.33425 186.2
[M]- 310.33535 186.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe