CID 77199

2-ethyl-2-hydroxybutanoic acid

Structural Information

Molecular Formula
C6H12O3
SMILES
CCC(CC)(C(=O)O)O
InChI
InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
InChIKey
LXVSANCQXSSLPA-UHFFFAOYSA-N
Compound name
2-ethyl-2-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

2172
Patents

132.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.085916 127.7
[M+Na]+ 155.067858 134.5
[M-H]- 131.071364 125.5
[M+NH4]+ 150.112463 148.4
[M+K]+ 171.041798 134.1
[M+H-H2O]+ 115.075900 124.2
[M+HCOO]- 177.076841 146.8
[M+CH3COO]- 191.092491 168.0
[M+Na-2H]- 153.053306 133.2
[M]+ 132.07809142 127.7
[M]- 132.07918858 127.7
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