CID 347919

2-(acetyloxy)-2-methylpropanoic acid

Structural Information

Molecular Formula
C6H10O4
SMILES
CC(=O)OC(C)(C)C(=O)O
InChI
InChI=1S/C6H10O4/c1-4(7)10-6(2,3)5(8)9/h1-3H3,(H,8,9)
InChIKey
NIWFXRKHWKGFMT-UHFFFAOYSA-N
Compound name
2-acetyloxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

146.0579 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 127.5
[M+Na]+ 169.047118 135.0
[M-H]- 145.050624 126.9
[M+NH4]+ 164.091723 148.3
[M+K]+ 185.021058 135.9
[M+H-H2O]+ 129.055160 123.9
[M+HCOO]- 191.056101 147.7
[M+CH3COO]- 205.071751 171.9
[M+Na-2H]- 167.032566 132.6
[M]+ 146.05735142 129.5
[M]- 146.05844858 129.5
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