CID 16773037

926204-84-4

Structural Information

Molecular Formula
C12H19N3
SMILES
C1CCCN(CC1)C2=NC=C(C=C2)CN
InChI
InChI=1S/C12H19N3/c13-9-11-5-6-12(14-10-11)15-7-3-1-2-4-8-15/h5-6,10H,1-4,7-9,13H2
InChIKey
VAYROBVVUDIZIS-UHFFFAOYSA-N
Compound name
[6-(azepan-1-yl)pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1579 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.16518 146.1
[M+Na]+ 228.14712 149.3
[M-H]- 204.15062 149.7
[M+NH4]+ 223.19172 160.4
[M+K]+ 244.12106 150.5
[M+H-H2O]+ 188.15516 137.0
[M+HCOO]- 250.15610 164.1
[M+CH3COO]- 264.17175 156.2
[M+Na-2H]- 226.13257 150.6
[M]+ 205.15735 137.2
[M]- 205.15845 137.2
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.