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]+ 205.13355 145.9
[M+Na]+ 227.11549 152.5
[M-H]- 203.11899 150.6
[M+NH4]+ 222.16009 164.8
[M+K]+ 243.08943 149.0
[M+H-H2O]+ 187.12353 138.4
[M+HCOO]- 249.12447 168.4
[M+CH3COO]- 263.14012 186.8
[M+Na-2H]- 225.10094 148.5
[M]+ 204.12572 142.5
[M]- 204.12682 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.