CID 20838125

10099-73-7

Structural Information

Molecular Formula
C7H10O5
SMILES
CC(COC(=O)/C=C\C(=O)O)O
InChI
InChI=1S/C7H10O5/c1-5(8)4-12-7(11)3-2-6(9)10/h2-3,5,8H,4H2,1H3,(H,9,10)/b3-2-
InChIKey
ZKXXLNRGNAUYHP-IHWYPQMZSA-N
Compound name
(Z)-4-(2-hydroxypropoxy)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

936
Patents

174.05283 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.060106 135.5
[M+Na]+ 197.042048 141.6
[M-H]- 173.045554 133.0
[M+NH4]+ 192.086653 154.0
[M+K]+ 213.015988 141.3
[M+H-H2O]+ 157.050090 130.9
[M+HCOO]- 219.051031 154.8
[M+CH3COO]- 233.066681 173.6
[M+Na-2H]- 195.027496 137.3
[M]+ 174.05228142 136.4
[M]- 174.05337858 136.4
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