CID 12902088

3-methoxypent-4-enoic acid

Structural Information

Molecular Formula
C6H10O3
SMILES
COC(CC(=O)O)C=C
InChI
InChI=1S/C6H10O3/c1-3-5(9-2)4-6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
InChIKey
NAMQOAHJIAAZCQ-UHFFFAOYSA-N
Compound name
3-methoxypent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

130.06299 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.070266 125.9
[M+Na]+ 153.052208 132.8
[M-H]- 129.055714 124.9
[M+NH4]+ 148.096813 147.1
[M+K]+ 169.026148 132.8
[M+H-H2O]+ 113.060250 121.6
[M+HCOO]- 175.061191 147.3
[M+CH3COO]- 189.076841 170.3
[M+Na-2H]- 151.037656 130.0
[M]+ 130.06244142 126.9
[M]- 130.06353858 126.9
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