CID 79338328

Pyrrolidin-2-ylmethyl n-cyclohexylcarbamate hydrochloride

Structural Information

Molecular Formula
C12H22N2O2
SMILES
C1CCC(CC1)NC(=O)OCC2CCCN2
InChI
InChI=1S/C12H22N2O2/c15-12(14-10-5-2-1-3-6-10)16-9-11-7-4-8-13-11/h10-11,13H,1-9H2,(H,14,15)
InChIKey
MJTQAKWQSBCIFP-UHFFFAOYSA-N
Compound name
pyrrolidin-2-ylmethyl N-cyclohexylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 154.8
[M+Na]+ 249.15734 155.6
[M-H]- 225.16084 156.7
[M+NH4]+ 244.20194 171.4
[M+K]+ 265.13128 153.5
[M+H-H2O]+ 209.16538 146.8
[M+HCOO]- 271.16632 171.2
[M+CH3COO]- 285.18197 185.5
[M+Na-2H]- 247.14279 155.2
[M]+ 226.16757 146.0
[M]- 226.16867 146.0
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

No patent data available for this compound.