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]+ 203.11789 145.5
[M+Na]+ 225.09983 152.8
[M-H]- 201.10333 149.0
[M+NH4]+ 220.14443 165.7
[M+K]+ 241.07377 148.7
[M+H-H2O]+ 185.10787 138.2
[M+HCOO]- 247.10881 164.0
[M+CH3COO]- 261.12446 157.5
[M+Na-2H]- 223.08528 147.1
[M]+ 202.11006 140.8
[M]- 202.11116 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.