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]+ 198.11248 143.2
[M+Na]+ 220.09442 147.8
[M-H]- 196.09792 145.9
[M+NH4]+ 215.13902 162.0
[M+K]+ 236.06836 146.5
[M+H-H2O]+ 180.10246 137.2
[M+HCOO]- 242.10340 164.4
[M+CH3COO]- 256.11905 184.5
[M+Na-2H]- 218.07987 146.4
[M]+ 197.10465 140.3
[M]- 197.10575 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.