CID 17803147

2-hydroxyprop-2-enal

Structural Information

Molecular Formula
C3H4O2
SMILES
C=C(C=O)O
InChI
InChI=1S/C3H4O2/c1-3(5)2-4/h2,5H,1H2
InChIKey
QRFGDGZPNFSNCE-UHFFFAOYSA-N
Compound name
2-hydroxyprop-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

318
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 108.7
[M+Na]+ 95.010344 117.2
[M-H]- 71.013850 108.3
[M+NH4]+ 90.054949 132.4
[M+K]+ 110.98428 117.1
[M+H-H2O]+ 55.018386 105.3
[M+HCOO]- 117.01933 131.9
[M+CH3COO]- 131.03498 158.3
[M+Na-2H]- 92.995792 115.8
[M]+ 72.020577 107.8
[M]- 72.021675 107.8
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