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

58
Patents

200.13135 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 145.7
[M+Na]+ 223.12057 154.2
[M-H]- 199.12407 149.1
[M+NH4]+ 218.16517 162.9
[M+K]+ 239.09451 148.8
[M+H-H2O]+ 183.12861 131.3
[M+HCOO]- 245.12955 163.5
[M+CH3COO]- 259.14520 196.5
[M+Na-2H]- 221.10602 148.8
[M]+ 200.13080 138.3
[M]- 200.13190 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