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

870
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 151.8
[M+Na]+ 258.07368 161.7
[M+NH4]+ 253.11828 157.9
[M+K]+ 274.04762 157.3
[M-H]- 234.07718 152.4
[M+Na-2H]- 256.05913 156.8
[M]+ 235.08391 153.0
[M]- 235.08501 153.0
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