CID 11126213

4-methoxybut-2-ynoic acid

Structural Information

Molecular Formula
C5H6O3
SMILES
COCC#CC(=O)O
InChI
InChI=1S/C5H6O3/c1-8-4-2-3-5(6)7/h4H2,1H3,(H,6,7)
InChIKey
ATFQGKWMZOYASB-UHFFFAOYSA-N
Compound name
4-methoxybut-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

114.03169 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03897 120.5
[M+Na]+ 137.02091 130.2
[M+NH4]+ 132.06551 124.1
[M+K]+ 152.99485 123.4
[M-H]- 113.02441 111.0
[M+Na-2H]- 135.00636 121.1
[M]+ 114.03114 118.1
[M]- 114.03224 118.1
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