CID 6001964

2-butenyl n-phenylcarbamate

Structural Information

Molecular Formula
C11H13NO2
SMILES
C/C=C/COC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C11H13NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h2-8H,9H2,1H3,(H,12,13)/b3-2+
InChIKey
XSKLUNLMKNMXFF-NSCUHMNNSA-N
Compound name
[(E)-but-2-enyl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 142.2
[M+Na]+ 214.08386 148.4
[M-H]- 190.08736 145.6
[M+NH4]+ 209.12846 161.4
[M+K]+ 230.05780 146.3
[M+H-H2O]+ 174.09190 135.8
[M+HCOO]- 236.09284 167.1
[M+CH3COO]- 250.10849 183.3
[M+Na-2H]- 212.06931 148.4
[M]+ 191.09409 142.7
[M]- 191.09519 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.