CID 7130786

2-[(pyrrolidin-1-yl)methyl]benzonitrile

Structural Information

Molecular Formula
C12H14N2
SMILES
C1CCN(C1)CC2=CC=CC=C2C#N
InChI
InChI=1S/C12H14N2/c13-9-11-5-1-2-6-12(11)10-14-7-3-4-8-14/h1-2,5-6H,3-4,7-8,10H2
InChIKey
SGOHCCLAFSXLCP-UHFFFAOYSA-N
Compound name
2-(pyrrolidin-1-ylmethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

186.11569 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.122966 141.7
[M+Na]+ 209.104908 150.6
[M-H]- 185.108414 145.4
[M+NH4]+ 204.149513 159.5
[M+K]+ 225.078848 145.5
[M+H-H2O]+ 169.112950 127.6
[M+HCOO]- 231.113891 159.8
[M+CH3COO]- 245.129541 152.9
[M+Na-2H]- 207.090356 145.4
[M]+ 186.11514142 134.0
[M]- 186.11623858 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

No literature data available for this compound.

Patent stripe

patents stripe