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]+ 236.128126 153.5
[M+Na]+ 258.110068 159.6
[M-H]- 234.113574 158.5
[M+NH4]+ 253.154673 171.7
[M+K]+ 274.084008 159.5
[M+H-H2O]+ 218.118110 146.7
[M+HCOO]- 280.119051 177.5
[M+CH3COO]- 294.134701 197.6
[M+Na-2H]- 256.095516 156.0
[M]+ 235.12030142 157.3
[M]- 235.12139858 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.