CID 86276902

1787191-35-8

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1CNC[C@H]1N2CC3=CC=CC=C3C2=O
InChI
InChI=1S/C12H14N2O/c15-12-11-4-2-1-3-9(11)8-14(12)10-5-6-13-7-10/h1-4,10,13H,5-8H2/t10-/m0/s1
InChIKey
VWSCJPFMSDBIHM-JTQLQIEISA-N
Compound name
2-[(3S)-pyrrolidin-3-yl]-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 145.5
[M+Na]+ 225.099828 152.8
[M-H]- 201.103334 149.0
[M+NH4]+ 220.144433 165.7
[M+K]+ 241.073768 148.7
[M+H-H2O]+ 185.107870 138.2
[M+HCOO]- 247.108811 164.0
[M+CH3COO]- 261.124461 157.5
[M+Na-2H]- 223.085276 147.1
[M]+ 202.11006142 140.8
[M]- 202.11115858 140.8
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.