CID 29018336

2407914-25-2

Structural Information

Molecular Formula
C12H14O4
SMILES
COCCOC1=CC=CC(=C1)/C=C/C(=O)O
InChI
InChI=1S/C12H14O4/c1-15-7-8-16-11-4-2-3-10(9-11)5-6-12(13)14/h2-6,9H,7-8H2,1H3,(H,13,14)/b6-5+
InChIKey
MZENHHUDINQIFT-AATRIKPKSA-N
Compound name
(E)-3-[3-(2-methoxyethoxy)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0892 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 148.1
[M+Na]+ 245.07842 154.9
[M-H]- 221.08192 150.2
[M+NH4]+ 240.12302 165.7
[M+K]+ 261.05236 152.8
[M+H-H2O]+ 205.08646 141.9
[M+HCOO]- 267.08740 170.5
[M+CH3COO]- 281.10305 185.5
[M+Na-2H]- 243.06387 152.3
[M]+ 222.08865 151.2
[M]- 222.08975 151.2
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

No patent data available for this compound.