CID 16788182

953891-80-0

Structural Information

Molecular Formula
C12H16N2O
SMILES
C1CC(=O)N(C1)CC2=CC=CC=C2CN
InChI
InChI=1S/C12H16N2O/c13-8-10-4-1-2-5-11(10)9-14-7-3-6-12(14)15/h1-2,4-5H,3,6-9,13H2
InChIKey
HYRYBZYQMWTMRE-UHFFFAOYSA-N
Compound name
1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 145.9
[M+Na]+ 227.115488 152.5
[M-H]- 203.118994 150.6
[M+NH4]+ 222.160093 164.8
[M+K]+ 243.089428 149.0
[M+H-H2O]+ 187.123530 138.4
[M+HCOO]- 249.124471 168.4
[M+CH3COO]- 263.140121 186.8
[M+Na-2H]- 225.100936 148.5
[M]+ 204.12572142 142.5
[M]- 204.12681858 142.5
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.