CID 5284414

Dtxsid4020793

Structural Information

Molecular Formula
C3H4O2
SMILES
C(=C/O)\C=O
InChI
InChI=1S/C3H4O2/c4-2-1-3-5/h1-4H/b2-1+
InChIKey
GMSHJLUJOABYOM-OWOJBTEDSA-N
Compound name
(E)-3-hydroxyprop-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

137
Patents

72.021126 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.028402 108.6
[M+Na]+ 95.010344 117.4
[M-H]- 71.013850 108.2
[M+NH4]+ 90.054949 132.5
[M+K]+ 110.98428 116.8
[M+H-H2O]+ 55.018386 105.2
[M+HCOO]- 117.01933 132.8
[M+CH3COO]- 131.03498 156.7
[M+Na-2H]- 92.995792 117.0
[M]+ 72.020577 108.3
[M]- 72.021675 108.3
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