CID 2760914

845866-73-1

Structural Information

Molecular Formula
C13H15N3
SMILES
C1C2CNC1CN2CC3=CC=C(C=C3)C#N
InChI
InChI=1S/C13H15N3/c14-6-10-1-3-11(4-2-10)8-16-9-12-5-13(16)7-15-12/h1-4,12-13,15H,5,7-9H2
InChIKey
KJGLNJLVGKZHLI-UHFFFAOYSA-N
Compound name
4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.1266 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.13388 148.8
[M+Na]+ 236.11582 158.6
[M-H]- 212.11932 149.6
[M+NH4]+ 231.16042 167.0
[M+K]+ 252.08976 151.0
[M+H-H2O]+ 196.12386 134.7
[M+HCOO]- 258.12480 163.2
[M+CH3COO]- 272.14045 158.9
[M+Na-2H]- 234.10127 150.9
[M]+ 213.12605 140.8
[M]- 213.12715 140.8
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

No patent data available for this compound.