CID 15150025

(2r)-3-methoxy-2-methylpropanoic acid

Structural Information

Molecular Formula
C5H10O3
SMILES
C[C@H](COC)C(=O)O
InChI
InChI=1S/C5H10O3/c1-4(3-8-2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m1/s1
InChIKey
JIRULJUIQOAJPM-SCSAIBSYSA-N
Compound name
(2R)-3-methoxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

695
Patents

118.062996 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.07027 122.8
[M+Na]+ 141.05221 129.8
[M-H]- 117.05572 122.0
[M+NH4]+ 136.09682 144.6
[M+K]+ 157.02615 130.7
[M+H-H2O]+ 101.06026 118.7
[M+HCOO]- 163.06120 144.4
[M+CH3COO]- 177.07685 168.2
[M+Na-2H]- 139.03766 127.4
[M]+ 118.06245 124.2
[M]- 118.06354 124.2
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