CID 27488

2-cyanoacrylic acid

Structural Information

Molecular Formula
C4H3NO2
SMILES
C=C(C#N)C(=O)O
InChI
InChI=1S/C4H3NO2/c1-3(2-5)4(6)7/h1H2,(H,6,7)
InChIKey
IJVRPNIWWODHHA-UHFFFAOYSA-N
Compound name
2-cyanoprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1264
References

55320
Patents

97.01638 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.023656 117.5
[M+Na]+ 120.00560 127.0
[M-H]- 96.009104 117.7
[M+NH4]+ 115.05020 137.8
[M+K]+ 135.97954 126.7
[M+H-H2O]+ 80.013640 107.1
[M+HCOO]- 142.01458 136.2
[M+CH3COO]- 156.03023 177.5
[M+Na-2H]- 117.99105 122.6
[M]+ 97.015831 111.6
[M]- 97.016929 111.6
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