CID 6391493

Acetophenone, o-(carboxymethyl)oxime

Structural Information

Molecular Formula
C10H11NO3
SMILES
C/C(=N/OCC(=O)O)/C1=CC=CC=C1
InChI
InChI=1S/C10H11NO3/c1-8(11-14-7-10(12)13)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13)/b11-8-
InChIKey
RCSPUQDYCFCXCV-FLIBITNWSA-N
Compound name
2-[(Z)-1-phenylethylideneamino]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 140.5
[M+Na]+ 216.063118 146.5
[M-H]- 192.066624 144.0
[M+NH4]+ 211.107723 159.2
[M+K]+ 232.037058 145.7
[M+H-H2O]+ 176.071160 134.0
[M+HCOO]- 238.072101 164.8
[M+CH3COO]- 252.087751 184.5
[M+Na-2H]- 214.048566 145.9
[M]+ 193.07335142 141.5
[M]- 193.07444858 141.5
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.