CID 19803943

2-(azepan-2-yl)ethan-1-ol hydrochloride

Structural Information

Molecular Formula
C8H17NO
SMILES
C1CCC(NCC1)CCO
InChI
InChI=1S/C8H17NO/c10-7-5-8-4-2-1-3-6-9-8/h8-10H,1-7H2
InChIKey
SCOAZWTYYSRFOB-UHFFFAOYSA-N
Compound name
2-(azepan-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

143.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 129.3
[M+Na]+ 166.12023 136.9
[M+NH4]+ 161.16483 136.5
[M+K]+ 182.09417 133.2
[M-H]- 142.12373 129.5
[M+Na-2H]- 164.10568 133.6
[M]+ 143.13046 130.1
[M]- 143.13156 130.1
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

patents stripe