CID 24803

3-methoxybutanoic acid

Structural Information

Molecular Formula
C5H10O3
SMILES
CC(CC(=O)O)OC
InChI
InChI=1S/C5H10O3/c1-4(8-2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKey
MXJDPWXQIVDAPH-UHFFFAOYSA-N
Compound name
3-methoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

782
Patents

118.062996 Da
Monoisotopic Mass

0.0
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

literature stripe

Patent stripe

patents stripe