CID 612

Lactic acid

Structural Information

Molecular Formula
C3H6O3
SMILES
CC(C(=O)O)O
InChI
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
InChIKey
JVTAAEKCZFNVCJ-UHFFFAOYSA-N
Compound name
2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

79395
References

552337
Patents

90.03169 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.038966 114.4
[M+Na]+ 113.02091 121.9
[M-H]- 89.024414 112.6
[M+NH4]+ 108.06551 136.6
[M+K]+ 128.99485 122.3
[M+H-H2O]+ 73.028950 110.9
[M+HCOO]- 135.02989 135.1
[M+CH3COO]- 149.04554 159.5
[M+Na-2H]- 111.00636 119.5
[M]+ 90.031141 113.1
[M]- 90.032239 113.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.