CID 12431727

2-hydroxy-2,3-dimethylbut-3-enoic acid

Structural Information

Molecular Formula
C6H10O3
SMILES
CC(=C)C(C)(C(=O)O)O
InChI
InChI=1S/C6H10O3/c1-4(2)6(3,9)5(7)8/h9H,1H2,2-3H3,(H,7,8)
InChIKey
KXXIUSPPIOSKAZ-UHFFFAOYSA-N
Compound name
2-hydroxy-2,3-dimethylbut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

130.06299 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.070266 125.6
[M+Na]+ 153.052208 132.6
[M-H]- 129.055714 123.6
[M+NH4]+ 148.096813 146.3
[M+K]+ 169.026148 132.1
[M+H-H2O]+ 113.060250 122.4
[M+HCOO]- 175.061191 144.0
[M+CH3COO]- 189.076841 167.9
[M+Na-2H]- 151.037656 130.0
[M]+ 130.06244142 124.3
[M]- 130.06353858 124.3
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

patents stripe