CID 11816391

Propanoic acid, 2-methyl-3-(phenylmethoxy)-, (r)-

Structural Information

Molecular Formula
C11H14O3
SMILES
C[C@H](COCC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C11H14O3/c1-9(11(12)13)7-14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)/t9-/m1/s1
InChIKey
PRXXYKBFWWHJGR-SECBINFHSA-N
Compound name
(2R)-2-methyl-3-phenylmethoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

194.0943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 142.7
[M+Na]+ 217.08352 148.5
[M-H]- 193.08702 144.6
[M+NH4]+ 212.12812 161.1
[M+K]+ 233.05746 147.1
[M+H-H2O]+ 177.09156 136.7
[M+HCOO]- 239.09250 164.0
[M+CH3COO]- 253.10815 181.6
[M+Na-2H]- 215.06897 146.8
[M]+ 194.09375 143.8
[M]- 194.09485 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

literature stripe

Patent stripe

patents stripe