CID 13208922

2-(2-phenylethoxy)acetic acid

Structural Information

Molecular Formula
C10H12O3
SMILES
C1=CC=C(C=C1)CCOCC(=O)O
InChI
InChI=1S/C10H12O3/c11-10(12)8-13-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)
InChIKey
JZTWVOXVRHTACR-UHFFFAOYSA-N
Compound name
2-(2-phenylethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

180.07864 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 137.8
[M+Na]+ 203.06786 144.2
[M-H]- 179.07136 139.8
[M+NH4]+ 198.11246 156.8
[M+K]+ 219.04180 142.6
[M+H-H2O]+ 163.07590 131.9
[M+HCOO]- 225.07684 160.4
[M+CH3COO]- 239.09249 177.7
[M+Na-2H]- 201.05331 143.7
[M]+ 180.07809 139.1
[M]- 180.07919 139.1
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