CID 207404

3h-azepin-2-amine, 4,5,6,7-tetrahydro-n-(3-methoxypropyl)-, monohydrochloride

Structural Information

Molecular Formula
C10H20N2O
SMILES
COCCCNC1=NCCCCC1
InChI
InChI=1S/C10H20N2O/c1-13-9-5-8-12-10-6-3-2-4-7-11-10/h2-9H2,1H3,(H,11,12)
InChIKey
DBVMUGFSMIVCTC-UHFFFAOYSA-N
Compound name
N-(3-methoxypropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.15756 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.16484 139.0
[M+Na]+ 207.14678 141.3
[M-H]- 183.15028 141.2
[M+NH4]+ 202.19138 155.7
[M+K]+ 223.12072 144.6
[M+H-H2O]+ 167.15482 131.7
[M+HCOO]- 229.15576 159.5
[M+CH3COO]- 243.17141 185.6
[M+Na-2H]- 205.13223 144.7
[M]+ 184.15701 134.4
[M]- 184.15811 134.4
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.