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
1
Annotation Hits

0
References

3220
Patents

158.0579 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 132.0
[M+Na]+ 181.04712 138.9
[M-H]- 157.05062 130.9
[M+NH4]+ 176.09172 152.1
[M+K]+ 197.02106 138.5
[M+H-H2O]+ 141.05516 127.4
[M+HCOO]- 203.05610 153.6
[M+CH3COO]- 217.07175 173.1
[M+Na-2H]- 179.03257 135.6
[M]+ 158.05735 134.0
[M]- 158.05845 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