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)-3-pyridinyl]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]+ 206.165176 146.1
[M+Na]+ 228.147118 149.3
[M-H]- 204.150624 149.7
[M+NH4]+ 223.191723 160.4
[M+K]+ 244.121058 150.5
[M+H-H2O]+ 188.155160 137.0
[M+HCOO]- 250.156101 164.1
[M+CH3COO]- 264.171751 156.2
[M+Na-2H]- 226.132566 150.6
[M]+ 205.15735142 137.2
[M]- 205.15844858 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.