CID 9793728

3,4,5,6-tetrahydro-2h-azepin-7-amine hydrochloride

Structural Information

Molecular Formula
C6H12N2
SMILES
C1CCC(=NCC1)N
InChI
InChI=1S/C6H12N2/c7-6-4-2-1-3-5-8-6/h1-5H2,(H2,7,8)
InChIKey
GTLJSJNKRLFVSJ-UHFFFAOYSA-N
Compound name
3,4,5,6-tetrahydro-2H-azepin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

149
Patents

112.10005 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.10733 119.9
[M+Na]+ 135.08927 128.7
[M+NH4]+ 130.13387 128.0
[M+K]+ 151.06321 124.8
[M-H]- 111.09277 121.8
[M+Na-2H]- 133.07472 126.3
[M]+ 112.09950 121.5
[M]- 112.10060 121.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe