CID 92264

4-methoxybutanoic acid

Structural Information

Molecular Formula
C5H10O3
SMILES
COCCCC(=O)O
InChI
InChI=1S/C5H10O3/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKey
VRRCYIFZBSJBAT-UHFFFAOYSA-N
Compound name
4-methoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

5052
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 122.6
[M+Na]+ 141.052214 129.8
[M-H]- 117.055720 121.7
[M+NH4]+ 136.096819 144.5
[M+K]+ 157.026154 130.2
[M+H-H2O]+ 101.060256 118.4
[M+HCOO]- 163.061197 145.2
[M+CH3COO]- 177.076847 167.3
[M+Na-2H]- 139.037662 128.5
[M]+ 118.06244742 124.6
[M]- 118.06354458 124.6
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