CID 22796321

62914-60-7

Structural Information

Molecular Formula
C9H7NO
SMILES
C1=CC=C(C=C1)/C(=C\O)/C#N
InChI
InChI=1S/C9H7NO/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,7,11H/b9-7-
InChIKey
GQNBRISQKUALEP-CLFYSBASSA-N
Compound name
(E)-3-hydroxy-2-phenylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

145.05276 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.060036 133.2
[M+Na]+ 168.041978 142.6
[M-H]- 144.045484 135.3
[M+NH4]+ 163.086583 151.7
[M+K]+ 184.015918 138.9
[M+H-H2O]+ 128.050020 121.4
[M+HCOO]- 190.050961 152.2
[M+CH3COO]- 204.066611 184.5
[M+Na-2H]- 166.027426 139.0
[M]+ 145.05221142 126.3
[M]- 145.05330858 126.3
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