CID 638121

C10h14coo4

Structural Information

Molecular Formula
C5H8O2
SMILES
C/C(=C\C(=O)C)/O
InChI
InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3,6H,1-2H3/b4-3+
InChIKey
POILWHVDKZOXJZ-ONEGZZNKSA-N
Compound name
(E)-4-hydroxypent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

123
References

181724
Patents

100.05243 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 118.4
[M+Na]+ 123.04165 125.9
[M-H]- 99.045154 117.8
[M+NH4]+ 118.08625 141.0
[M+K]+ 139.01559 125.7
[M+H-H2O]+ 83.049690 114.7
[M+HCOO]- 145.05063 140.0
[M+CH3COO]- 159.06628 164.5
[M+Na-2H]- 121.02710 123.1
[M]+ 100.05188 117.5
[M]- 100.05298 117.6
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