CID 18779048

2-(2-phenylpropoxy)acetic acid

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(COCC(=O)O)C1=CC=CC=C1
InChI
InChI=1S/C11H14O3/c1-9(7-14-8-11(12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)
InChIKey
USYWNHKVZFGJLS-UHFFFAOYSA-N
Compound name
2-(2-phenylpropoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

194.0943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 142.7
[M+Na]+ 217.083518 148.5
[M-H]- 193.087024 144.6
[M+NH4]+ 212.128123 161.1
[M+K]+ 233.057458 147.1
[M+H-H2O]+ 177.091560 136.7
[M+HCOO]- 239.092501 164.0
[M+CH3COO]- 253.108151 181.6
[M+Na-2H]- 215.068966 146.8
[M]+ 194.09375142 143.8
[M]- 194.09484858 143.8
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