CID 6439969

4-hydroxy-2-pentenal

Structural Information

Molecular Formula
C5H8O2
SMILES
CC(/C=C/C=O)O
InChI
InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h2-5,7H,1H3/b3-2+
InChIKey
OFWXLYPSGLVHNC-NSCUHMNNSA-N
Compound name
(E)-4-hydroxypent-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

35
Patents

100.05243 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 118.3
[M+Na]+ 123.04165 126.0
[M-H]- 99.045154 117.6
[M+NH4]+ 118.08625 141.0
[M+K]+ 139.01559 125.4
[M+H-H2O]+ 83.049690 114.5
[M+HCOO]- 145.05063 140.9
[M+CH3COO]- 159.06628 163.7
[M+Na-2H]- 121.02710 124.3
[M]+ 100.05188 118.1
[M]- 100.05298 118.1
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