CID 59835

1h-azepine-1-ethanol, hexahydro-alpha-(((1-methylethyl)amino)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C12H26N2O
SMILES
CC(C)NCC(CN1CCCCCC1)O
InChI
InChI=1S/C12H26N2O/c1-11(2)13-9-12(15)10-14-7-5-3-4-6-8-14/h11-13,15H,3-10H2,1-2H3
InChIKey
FWNWRFZEXUTZTD-UHFFFAOYSA-N
Compound name
1-(azepan-1-yl)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.20451 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.211786 149.4
[M+Na]+ 237.193728 149.1
[M-H]- 213.197234 149.9
[M+NH4]+ 232.238333 164.1
[M+K]+ 253.167668 152.4
[M+H-H2O]+ 197.201770 142.1
[M+HCOO]- 259.202711 164.6
[M+CH3COO]- 273.218361 191.4
[M+Na-2H]- 235.179176 150.5
[M]+ 214.20396142 141.3
[M]- 214.20505858 141.3
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.