CID 439231

L-lactaldehyde

Structural Information

Molecular Formula
C3H6O2
SMILES
C[C@@H](C=O)O
InChI
InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m0/s1
InChIKey
BSABBBMNWQWLLU-VKHMYHEASA-N
Compound name
(2S)-2-hydroxypropanal
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

41
References

6770
Patents

74.03678 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 75.044056 110.4
[M+Na]+ 97.025998 118.5
[M-H]- 73.029504 109.9
[M+NH4]+ 92.070603 134.0
[M+K]+ 112.99994 119.0
[M+H-H2O]+ 57.034040 106.8
[M+HCOO]- 119.03498 133.3
[M+CH3COO]- 133.05063 159.2
[M+Na-2H]- 95.011446 117.4
[M]+ 74.036231 110.1
[M]- 74.037329 110.1
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