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
2
Annotation Hits

0
References

51
Patents

254.19943 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.20671 162.0
[M+Na]+ 277.18865 162.1
[M-H]- 253.19215 164.7
[M+NH4]+ 272.23325 176.8
[M+K]+ 293.16259 159.3
[M+H-H2O]+ 237.19669 154.6
[M+HCOO]- 299.19763 177.1
[M+CH3COO]- 313.21328 197.1
[M+Na-2H]- 275.17410 160.7
[M]+ 254.19888 150.4
[M]- 254.19998 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