CID 12364519

2-(1-benzylpyrrolidin-3-yl)acetonitrile

Structural Information

Molecular Formula
C13H16N2
SMILES
C1CN(CC1CC#N)CC2=CC=CC=C2
InChI
InChI=1S/C13H16N2/c14-8-6-13-7-9-15(11-13)10-12-4-2-1-3-5-12/h1-5,13H,6-7,9-11H2
InChIKey
HYBXAXKMVJEWHM-UHFFFAOYSA-N
Compound name
2-(1-benzylpyrrolidin-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

200.13135 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 145.7
[M+Na]+ 223.120568 154.2
[M-H]- 199.124074 149.1
[M+NH4]+ 218.165173 162.9
[M+K]+ 239.094508 148.8
[M+H-H2O]+ 183.128610 131.3
[M+HCOO]- 245.129551 163.5
[M+CH3COO]- 259.145201 196.5
[M+Na-2H]- 221.106016 148.8
[M]+ 200.13080142 138.3
[M]- 200.13189858 138.3
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

patents stripe