CID 79006638

Lithium(1+) ion 5-hydroxy-2-phenylpentanoate

Structural Information

Molecular Formula
C11H14O3
SMILES
C1=CC=C(C=C1)C(CCCO)C(=O)O
InChI
InChI=1S/C11H14O3/c12-8-4-7-10(11(13)14)9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2,(H,13,14)
InChIKey
VNKONHJUIKNTOS-UHFFFAOYSA-N
Compound name
5-hydroxy-2-phenylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

194.0943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 143.3
[M+Na]+ 217.083518 148.7
[M-H]- 193.087024 143.8
[M+NH4]+ 212.128123 161.0
[M+K]+ 233.057458 146.4
[M+H-H2O]+ 177.091560 137.6
[M+HCOO]- 239.092501 163.1
[M+CH3COO]- 253.108151 179.0
[M+Na-2H]- 215.068966 146.9
[M]+ 194.09375142 142.5
[M]- 194.09484858 142.5
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