CID 83267

[4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamic acid

Structural Information

Molecular Formula
C14H26N2O2
SMILES
C1CC(CCC1CC2CCC(CC2)NC(=O)O)N
InChI
InChI=1S/C14H26N2O2/c15-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)16-14(17)18/h10-13,16H,1-9,15H2,(H,17,18)
InChIKey
NAXYKJVXULDOFW-UHFFFAOYSA-N
Compound name
[4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

54
Patents

254.19943 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.206706 162.0
[M+Na]+ 277.188648 162.1
[M-H]- 253.192154 164.7
[M+NH4]+ 272.233253 176.8
[M+K]+ 293.162588 159.3
[M+H-H2O]+ 237.196690 154.6
[M+HCOO]- 299.197631 177.1
[M+CH3COO]- 313.213281 197.1
[M+Na-2H]- 275.174096 160.7
[M]+ 254.19888142 150.4
[M]- 254.19997858 150.4
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