CID 21180390

3-(pyrrolidin-1-ylmethyl)benzonitrile

Structural Information

Molecular Formula
C12H14N2
SMILES
C1CCN(C1)CC2=CC(=CC=C2)C#N
InChI
InChI=1S/C12H14N2/c13-9-11-4-3-5-12(8-11)10-14-6-1-2-7-14/h3-5,8H,1-2,6-7,10H2
InChIKey
AAVUHDFNXPJROH-UHFFFAOYSA-N
Compound name
3-(pyrrolidin-1-ylmethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

186.11569 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 145.3
[M+Na]+ 209.10491 157.2
[M+NH4]+ 204.14951 151.0
[M+K]+ 225.07885 148.1
[M-H]- 185.10841 141.4
[M+Na-2H]- 207.09036 150.0
[M]+ 186.11514 145.1
[M]- 186.11624 145.1
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