CID 52364

73747-43-0

Structural Information

Molecular Formula
C13H17NO3
SMILES
CCN(CC)C(=O)OC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C13H17NO3/c1-4-14(5-2)13(16)17-12-8-6-11(7-9-12)10(3)15/h6-9H,4-5H2,1-3H3
InChIKey
NVIZPUFJDGMCQI-UHFFFAOYSA-N
Compound name
(4-acetylphenyl) N,N-diethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 153.5
[M+Na]+ 258.11007 159.6
[M-H]- 234.11357 158.5
[M+NH4]+ 253.15467 171.7
[M+K]+ 274.08401 159.5
[M+H-H2O]+ 218.11811 146.7
[M+HCOO]- 280.11905 177.5
[M+CH3COO]- 294.13470 197.6
[M+Na-2H]- 256.09552 156.0
[M]+ 235.12030 157.3
[M]- 235.12140 157.3
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.