CID 44189033

3-acetylphenyl ethyl(methyl)carbamate

Structural Information

Molecular Formula
C12H15NO3
SMILES
CCN(C)C(=O)OC1=CC=CC(=C1)C(=O)C
InChI
InChI=1S/C12H15NO3/c1-4-13(3)12(15)16-11-7-5-6-10(8-11)9(2)14/h5-8H,4H2,1-3H3
InChIKey
ABNQSLSOFYAGHU-UHFFFAOYSA-N
Compound name
(3-acetylphenyl) N-ethyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

221.1052 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 148.8
[M+Na]+ 244.09442 155.2
[M-H]- 220.09792 153.9
[M+NH4]+ 239.13902 167.5
[M+K]+ 260.06836 155.4
[M+H-H2O]+ 204.10246 142.1
[M+HCOO]- 266.10340 173.0
[M+CH3COO]- 280.11905 194.6
[M+Na-2H]- 242.07987 151.8
[M]+ 221.10465 152.2
[M]- 221.10575 152.2
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