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]+ 215.21179 149.4
[M+Na]+ 237.19373 149.1
[M-H]- 213.19723 149.9
[M+NH4]+ 232.23833 164.1
[M+K]+ 253.16767 152.4
[M+H-H2O]+ 197.20177 142.1
[M+HCOO]- 259.20271 164.6
[M+CH3COO]- 273.21836 191.4
[M+Na-2H]- 235.17918 150.5
[M]+ 214.20396 141.3
[M]- 214.20506 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.