CID 1899166

(2z)-3-(2-cyanophenyl)prop-2-enoic acid

Structural Information

Molecular Formula
C10H7NO2
SMILES
C1=CC=C(C(=C1)/C=C\C(=O)O)C#N
InChI
InChI=1S/C10H7NO2/c11-7-9-4-2-1-3-8(9)5-6-10(12)13/h1-6H,(H,12,13)/b6-5-
InChIKey
HQVOPXGNHGTKOD-WAYWQWQTSA-N
Compound name
(Z)-3-(2-cyanophenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

173.04768 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05496 138.9
[M+Na]+ 196.03690 148.9
[M-H]- 172.04040 141.2
[M+NH4]+ 191.08150 156.6
[M+K]+ 212.01084 145.1
[M+H-H2O]+ 156.04494 127.0
[M+HCOO]- 218.04588 158.0
[M+CH3COO]- 232.06153 189.2
[M+Na-2H]- 194.02235 143.6
[M]+ 173.04713 133.4
[M]- 173.04823 133.4
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