CID 11392766

(1s,2s)-n,n'-dimethyl-n,n'-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine

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 184.0
[M+Na]+ 333.32402 184.4
[M-H]- 309.32752 188.3
[M+NH4]+ 328.36862 200.0
[M+K]+ 349.29796 184.2
[M+H-H2O]+ 293.33206 177.1
[M+HCOO]- 355.33300 200.5
[M+CH3COO]- 369.34865 223.1
[M+Na-2H]- 331.30947 183.6
[M]+ 310.33425 184.0
[M]- 310.33535 184.0
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