CID 50999347

(1s,2s)-1,2-dicyclohexylethane-1,2-diamine

Structural Information

Molecular Formula
C14H28N2
SMILES
C1CCC(CC1)[C@@H]([C@H](C2CCCCC2)N)N
InChI
InChI=1S/C14H28N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-14H,1-10,15-16H2/t13-,14-/m0/s1
InChIKey
QMYUCDBIJSSHEP-KBPBESRZSA-N
Compound name
(1S,2S)-1,2-dicyclohexylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

224.22525 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.232526 157.5
[M+Na]+ 247.214468 155.7
[M-H]- 223.217974 160.4
[M+NH4]+ 242.259073 173.4
[M+K]+ 263.188408 153.3
[M+H-H2O]+ 207.222510 149.8
[M+HCOO]- 269.223451 171.9
[M+CH3COO]- 283.239101 194.6
[M+Na-2H]- 245.199916 155.7
[M]+ 224.22470142 143.3
[M]- 224.22579858 143.3
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

patents stripe