CID 12251

Methoxyacetic acid

Structural Information

Molecular Formula
C3H6O3
SMILES
COCC(=O)O
InChI
InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
InChIKey
RMIODHQZRUFFFF-UHFFFAOYSA-N
Compound name
2-methoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

188
References

30380
Patents

90.03169 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.038966 113.2
[M+Na]+ 113.02091 121.3
[M-H]- 89.024414 112.7
[M+NH4]+ 108.06551 136.2
[M+K]+ 128.99485 122.2
[M+H-H2O]+ 73.028950 109.4
[M+HCOO]- 135.02989 136.4
[M+CH3COO]- 149.04554 161.2
[M+Na-2H]- 111.00636 120.2
[M]+ 90.031141 114.5
[M]- 90.032239 114.5
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