CID 6450297

Mono(phenoxyethyl) maleate

Structural Information

Molecular Formula
C12H12O5
SMILES
C1=CC=C(C=C1)OCCOC(=O)/C=C/C(=O)O
InChI
InChI=1S/C12H12O5/c13-11(14)6-7-12(15)17-9-8-16-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)/b7-6+
InChIKey
RUGDBESIUZOJPC-VOTSOKGWSA-N
Compound name
(E)-4-oxo-4-(2-phenoxyethoxy)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

236.06847 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07575 150.5
[M+Na]+ 259.05769 156.4
[M-H]- 235.06119 152.3
[M+NH4]+ 254.10229 167.0
[M+K]+ 275.03163 154.7
[M+H-H2O]+ 219.06573 144.0
[M+HCOO]- 281.06667 172.3
[M+CH3COO]- 295.08232 185.8
[M+Na-2H]- 257.04314 154.3
[M]+ 236.06792 153.3
[M]- 236.06902 153.3
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