CID 75049

3-hydroxypropanal

Structural Information

Molecular Formula
C3H6O2
SMILES
C(CO)C=O
InChI
InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2
InChIKey
AKXKFZDCRYJKTF-UHFFFAOYSA-N
Compound name
3-hydroxypropanal
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

184
References

11477
Patents

74.03678 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 75.044056 110.0
[M+Na]+ 97.025998 118.3
[M-H]- 73.029504 109.4
[M+NH4]+ 92.070603 133.7
[M+K]+ 112.99994 118.4
[M+H-H2O]+ 57.034040 106.4
[M+HCOO]- 119.03498 134.0
[M+CH3COO]- 133.05063 158.4
[M+Na-2H]- 95.011446 118.3
[M]+ 74.036231 110.5
[M]- 74.037329 110.5
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