CID 14970999

1-benzylpyrrolidine-2-carbonitrile

Structural Information

Molecular Formula
C12H14N2
SMILES
C1CC(N(C1)CC2=CC=CC=C2)C#N
InChI
InChI=1S/C12H14N2/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-8,10H2
InChIKey
UWHFYOCFQGYYIH-UHFFFAOYSA-N
Compound name
1-benzylpyrrolidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

186.11569 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 141.7
[M+Na]+ 209.10491 150.6
[M-H]- 185.10841 145.4
[M+NH4]+ 204.14951 159.5
[M+K]+ 225.07885 145.5
[M+H-H2O]+ 169.11295 127.6
[M+HCOO]- 231.11389 159.8
[M+CH3COO]- 245.12954 152.9
[M+Na-2H]- 207.09036 145.4
[M]+ 186.11514 134.0
[M]- 186.11624 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe