CID 6433522

2-hydroxypropyl hydrogen maleate

Structural Information

Molecular Formula
C7H10O5
SMILES
C(CO)COC(=O)/C=C\C(=O)O
InChI
InChI=1S/C7H10O5/c8-4-1-5-12-7(11)3-2-6(9)10/h2-3,8H,1,4-5H2,(H,9,10)/b3-2-
InChIKey
CTEFDDZVRLFMNT-IHWYPQMZSA-N
Compound name
(Z)-4-(3-hydroxypropoxy)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

174.05283 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06011 135.4
[M+Na]+ 197.04205 141.7
[M-H]- 173.04555 132.8
[M+NH4]+ 192.08665 154.0
[M+K]+ 213.01599 140.9
[M+H-H2O]+ 157.05009 130.7
[M+HCOO]- 219.05103 155.7
[M+CH3COO]- 233.06668 172.7
[M+Na-2H]- 195.02750 138.5
[M]+ 174.05228 136.9
[M]- 174.05338 136.9
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