CID 6581

Acrylic acid

Structural Information

Molecular Formula
C3H4O2
SMILES
C=CC(=O)O
InChI
InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
InChIKey
NIXOWILDQLNWCW-UHFFFAOYSA-N
Compound name
prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

2378
References

685516
Patents

72.021126 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.028402 110.3
[M+Na]+ 95.010344 120.8
[M+NH4]+ 90.054949 118.1
[M+K]+ 110.98428 116.5
[M-H]- 71.013850 108.9
[M+Na-2H]- 92.995792 114.2
[M]+ 72.020577 111.1
[M]- 72.021675 111.1
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