CID 5328811

P-hydroxycinnamonitrile

Structural Information

Molecular Formula
C9H7NO
SMILES
C1=CC(=CC=C1/C=C/C#N)O
InChI
InChI=1S/C9H7NO/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,11H/b2-1+
InChIKey
RZROIDXECXAOTO-OWOJBTEDSA-N
Compound name
(E)-3-(4-hydroxyphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

145.05276 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.060036 131.2
[M+Na]+ 168.041978 141.7
[M-H]- 144.045484 133.7
[M+NH4]+ 163.086583 150.2
[M+K]+ 184.015918 137.8
[M+H-H2O]+ 128.050020 119.7
[M+HCOO]- 190.050961 151.3
[M+CH3COO]- 204.066611 184.7
[M+Na-2H]- 166.027426 137.7
[M]+ 145.05221142 125.4
[M]- 145.05330858 125.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe