CID 6934205

298700-67-1

Structural Information

Molecular Formula
C11H11NO3
SMILES
C[C@H](C(=O)O)N1CC2=CC=CC=C2C1=O
InChI
InChI=1S/C11H11NO3/c1-7(11(14)15)12-6-8-4-2-3-5-9(8)10(12)13/h2-5,7H,6H2,1H3,(H,14,15)/t7-/m1/s1
InChIKey
XBPWPQBDGZFHQI-SSDOTTSWSA-N
Compound name
(2R)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

205.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 143.0
[M+Na]+ 228.063118 151.1
[M-H]- 204.066624 145.1
[M+NH4]+ 223.107723 162.8
[M+K]+ 244.037058 148.7
[M+H-H2O]+ 188.071160 137.2
[M+HCOO]- 250.072101 162.3
[M+CH3COO]- 264.087751 183.6
[M+Na-2H]- 226.048566 145.6
[M]+ 205.07335142 142.8
[M]- 205.07444858 142.8
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

No patent data available for this compound.