CID 64470608

3-(2,3-dihydro-1h-isoindol-2-yl)-2-hydroxy-2-methylpropanoic acid hydrochloride

Structural Information

Molecular Formula
C12H15NO3
SMILES
CC(CN1CC2=CC=CC=C2C1)(C(=O)O)O
InChI
InChI=1S/C12H15NO3/c1-12(16,11(14)15)8-13-6-9-4-2-3-5-10(9)7-13/h2-5,16H,6-8H2,1H3,(H,14,15)
InChIKey
ZXBGSDCURBCIQL-UHFFFAOYSA-N
Compound name
3-(1,3-dihydroisoindol-2-yl)-2-hydroxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 150.0
[M+Na]+ 244.094418 156.7
[M-H]- 220.097924 150.3
[M+NH4]+ 239.139023 168.4
[M+K]+ 260.068358 153.8
[M+H-H2O]+ 204.102460 144.6
[M+HCOO]- 266.103401 166.6
[M+CH3COO]- 280.119051 183.2
[M+Na-2H]- 242.079866 154.4
[M]+ 221.10465142 148.8
[M]- 221.10574858 148.8
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

No patent data available for this compound.