CID 2756299

4-n-alloc-aminocyclohexanone

Structural Information

Molecular Formula
C10H15NO3
SMILES
C=CCOC(=O)NC1CCC(=O)CC1
InChI
InChI=1S/C10H15NO3/c1-2-7-14-10(13)11-8-3-5-9(12)6-4-8/h2,8H,1,3-7H2,(H,11,13)
InChIKey
MCVZPKPRFKNTRZ-UHFFFAOYSA-N
Compound name
prop-2-enyl N-(4-oxocyclohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.112476 143.2
[M+Na]+ 220.094418 147.8
[M-H]- 196.097924 145.9
[M+NH4]+ 215.139023 162.0
[M+K]+ 236.068358 146.5
[M+H-H2O]+ 180.102460 137.2
[M+HCOO]- 242.103401 164.4
[M+CH3COO]- 256.119051 184.5
[M+Na-2H]- 218.079866 146.4
[M]+ 197.10465142 140.3
[M]- 197.10574858 140.3
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

No patent data available for this compound.