CID 32743

3-butenoic acid

Structural Information

Molecular Formula
C4H6O2
SMILES
C=CCC(=O)O
InChI
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)
InChIKey
PVEOYINWKBTPIZ-UHFFFAOYSA-N
Compound name
but-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

42485
Patents

86.03678 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.044056 114.7
[M+Na]+ 109.02600 125.0
[M+NH4]+ 104.07060 122.3
[M+K]+ 124.99994 120.5
[M-H]- 85.029504 113.2
[M+Na-2H]- 107.01145 118.3
[M]+ 86.036231 115.4
[M]- 86.037329 115.4
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