CID 12487266

(2z)-4-hydroxy-3-methylbut-2-enal

Structural Information

Molecular Formula
C5H8O2
SMILES
C/C(=C/C=O)/CO
InChI
InChI=1S/C5H8O2/c1-5(4-7)2-3-6/h2-3,7H,4H2,1H3/b5-2-
InChIKey
BSHDRMLUCYMQOP-DJWKRKHSSA-N
Compound name
(Z)-4-hydroxy-3-methylbut-2-enal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

22
Patents

100.05243 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 119.3
[M+Na]+ 123.04165 129.4
[M+NH4]+ 118.08625 126.7
[M+K]+ 139.01559 124.6
[M-H]- 99.045154 117.8
[M+Na-2H]- 121.02710 122.6
[M]+ 100.05188 120.0
[M]- 100.05298 120.0
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

No patent data available for this compound.