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

34
Patents

224.22525 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.23253 157.5
[M+Na]+ 247.21447 155.7
[M-H]- 223.21797 160.4
[M+NH4]+ 242.25907 173.4
[M+K]+ 263.18841 153.3
[M+H-H2O]+ 207.22251 149.8
[M+HCOO]- 269.22345 171.9
[M+CH3COO]- 283.23910 194.6
[M+Na-2H]- 245.19992 155.7
[M]+ 224.22470 143.3
[M]- 224.22580 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