CID 5355210

Nsc28856

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1=CC=C(C=C1)/C(=N\O)/CCC(=O)O
InChI
InChI=1S/C10H11NO3/c12-10(13)7-6-9(11-14)8-4-2-1-3-5-8/h1-5,14H,6-7H2,(H,12,13)/b11-9-
InChIKey
QEBFDSLTQPOGBG-LUAWRHEFSA-N
Compound name
(4Z)-4-hydroxyimino-4-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

193.0739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 141.0
[M+Na]+ 216.063118 146.6
[M-H]- 192.066624 143.0
[M+NH4]+ 211.107723 159.0
[M+K]+ 232.037058 144.9
[M+H-H2O]+ 176.071160 134.7
[M+HCOO]- 238.072101 163.8
[M+CH3COO]- 252.087751 182.0
[M+Na-2H]- 214.048566 145.9
[M]+ 193.07335142 140.1
[M]- 193.07444858 140.1
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