CID 54679383

Nsc 5738

Structural Information

Molecular Formula
C10H11NO2
SMILES
C/C(=C/C(=O)NC1=CC=CC=C1)/O
InChI
InChI=1S/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-7,12H,1H3,(H,11,13)/b8-7-
InChIKey
MMHHCUWYNJYNNZ-FPLPWBNLSA-N
Compound name
(Z)-3-hydroxy-N-phenylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 138.4
[M+Na]+ 200.06820 144.2
[M-H]- 176.07170 140.5
[M+NH4]+ 195.11280 157.2
[M+K]+ 216.04214 141.9
[M+H-H2O]+ 160.07624 132.4
[M+HCOO]- 222.07718 161.0
[M+CH3COO]- 236.09283 179.2
[M+Na-2H]- 198.05365 143.3
[M]+ 177.07843 136.0
[M]- 177.07953 136.0
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

No patent data available for this compound.