CID 6436884

Monopropyl maleate

Structural Information

Molecular Formula
C7H10O4
SMILES
CCCOC(=O)/C=C\C(=O)O
InChI
InChI=1S/C7H10O4/c1-2-5-11-7(10)4-3-6(8)9/h3-4H,2,5H2,1H3,(H,8,9)/b4-3-
InChIKey
AYAUWVRAUCDBFR-ARJAWSKDSA-N
Compound name
(Z)-4-oxo-4-propoxybut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2730
Patents

158.0579 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.065176 132.0
[M+Na]+ 181.047118 138.9
[M-H]- 157.050624 130.9
[M+NH4]+ 176.091723 152.1
[M+K]+ 197.021058 138.5
[M+H-H2O]+ 141.055160 127.4
[M+HCOO]- 203.056101 153.6
[M+CH3COO]- 217.071751 173.1
[M+Na-2H]- 179.032566 135.6
[M]+ 158.05735142 134.0
[M]- 158.05844858 134.0
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