CID 2102

28166-41-8

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC(=CC=C1C=C(C#N)C(=O)O)O
InChI
InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)
InChIKey
AFVLVVWMAFSXCK-UHFFFAOYSA-N
Compound name
2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

658
References

21180
Patents

189.04259 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04987 143.9
[M+Na]+ 212.03181 153.1
[M-H]- 188.03531 145.0
[M+NH4]+ 207.07641 160.2
[M+K]+ 228.00575 149.6
[M+H-H2O]+ 172.03985 132.1
[M+HCOO]- 234.04079 160.9
[M+CH3COO]- 248.05644 189.6
[M+Na-2H]- 210.01726 146.8
[M]+ 189.04204 137.3
[M]- 189.04314 137.3
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