CID 9855465

2-methoxy-2-methylpropanoic acid

Structural Information

Molecular Formula
C5H10O3
SMILES
CC(C)(C(=O)O)OC
InChI
InChI=1S/C5H10O3/c1-5(2,8-3)4(6)7/h1-3H3,(H,6,7)
InChIKey
BKBZFJRHYSCZQA-UHFFFAOYSA-N
Compound name
2-methoxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1292
Patents

118.062996 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.07027 121.9
[M+Na]+ 141.05221 129.7
[M-H]- 117.05572 121.4
[M+NH4]+ 136.09682 144.0
[M+K]+ 157.02615 130.5
[M+H-H2O]+ 101.06026 118.5
[M+HCOO]- 163.06120 143.0
[M+CH3COO]- 177.07685 167.6
[M+Na-2H]- 139.03766 128.6
[M]+ 118.06245 123.5
[M]- 118.06354 123.5
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