CID 11007830

2-methoxyprop-2-enoic acid

Structural Information

Molecular Formula
C4H6O3
SMILES
COC(=C)C(=O)O
InChI
InChI=1S/C4H6O3/c1-3(7-2)4(5)6/h1H2,2H3,(H,5,6)
InChIKey
LQAQMOIBXDELJX-UHFFFAOYSA-N
Compound name
2-methoxyprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2489
Patents

102.03169 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.03897 118.0
[M+Na]+ 125.02091 127.4
[M+NH4]+ 120.06551 124.8
[M+K]+ 140.99485 124.2
[M-H]- 101.02441 115.7
[M+Na-2H]- 123.00636 120.6
[M]+ 102.03114 118.2
[M]- 102.03224 118.2
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

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