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

9
Patents

236.06847 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.075746 150.5
[M+Na]+ 259.057688 156.4
[M-H]- 235.061194 152.3
[M+NH4]+ 254.102293 167.0
[M+K]+ 275.031628 154.7
[M+H-H2O]+ 219.065730 144.0
[M+HCOO]- 281.066671 172.3
[M+CH3COO]- 295.082321 185.8
[M+Na-2H]- 257.043136 154.3
[M]+ 236.06792142 153.3
[M]- 236.06901858 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