CID 9576244

65894-76-0

Structural Information

Molecular Formula
C12H13NO4
SMILES
CCOC(=O)O/N=C(\C)/C(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H13NO4/c1-3-16-12(15)17-13-9(2)11(14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3/b13-9+
InChIKey
YDMWUMUNUXUYKT-UKTHLTGXSA-N
Compound name
ethyl [(E)-(1-oxo-1-phenylpropan-2-ylidene)amino] carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1278
Patents

235.08446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 151.3
[M+Na]+ 258.07368 157.1
[M-H]- 234.07718 156.0
[M+NH4]+ 253.11828 169.0
[M+K]+ 274.04762 157.1
[M+H-H2O]+ 218.08172 144.2
[M+HCOO]- 280.08266 176.0
[M+CH3COO]- 294.09831 193.9
[M+Na-2H]- 256.05913 155.1
[M]+ 235.08391 155.0
[M]- 235.08501 155.0
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

patents stripe