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

3122
Patents

118.062996 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.070272 122.8
[M+Na]+ 141.052214 129.8
[M-H]- 117.055720 122.0
[M+NH4]+ 136.096819 144.6
[M+K]+ 157.026154 130.7
[M+H-H2O]+ 101.060256 118.7
[M+HCOO]- 163.061197 144.4
[M+CH3COO]- 177.076847 168.2
[M+Na-2H]- 139.037662 127.4
[M]+ 118.06244742 124.2
[M]- 118.06354458 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