CID 227027

4-acetylphenyl n-methylcarbamate

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)NC
InChI
InChI=1S/C10H11NO3/c1-7(12)8-3-5-9(6-4-8)14-10(13)11-2/h3-6H,1-2H3,(H,11,13)
InChIKey
RLEQDIMSXBUMLQ-UHFFFAOYSA-N
Compound name
(4-acetylphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

193.0739 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 140.0
[M+Na]+ 216.063118 147.1
[M-H]- 192.066624 144.0
[M+NH4]+ 211.107723 159.2
[M+K]+ 232.037058 146.3
[M+H-H2O]+ 176.071160 133.9
[M+HCOO]- 238.072101 164.4
[M+CH3COO]- 252.087751 185.1
[M+Na-2H]- 214.048566 144.8
[M]+ 193.07335142 141.4
[M]- 193.07444858 141.4
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

patents stripe