CID 3052698

69226-42-2

Structural Information

Molecular Formula
C12H14N2O
SMILES
CN1CCCC12C3=CC=CC=C3NC2=O
InChI
InChI=1S/C12H14N2O/c1-14-8-4-7-12(14)9-5-2-3-6-10(9)13-11(12)15/h2-3,5-6H,4,7-8H2,1H3,(H,13,15)
InChIKey
ZCVYHVLSXBQOBF-UHFFFAOYSA-N
Compound name
1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 146.0
[M+Na]+ 225.09983 155.1
[M-H]- 201.10333 149.1
[M+NH4]+ 220.14443 168.9
[M+K]+ 241.07377 150.7
[M+H-H2O]+ 185.10787 139.4
[M+HCOO]- 247.10881 164.5
[M+CH3COO]- 261.12446 158.6
[M+Na-2H]- 223.08528 149.2
[M]+ 202.11006 142.3
[M]- 202.11116 142.3
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.