CID 21271140

Azepan-3-ol hydrochloride

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CCNCC(C1)O
InChI
InChI=1S/C6H13NO/c8-6-3-1-2-4-7-5-6/h6-8H,1-5H2
InChIKey
SWIMYOUDBYVEIN-UHFFFAOYSA-N
Compound name
azepan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

259
Patents

115.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 120.8
[M+Na]+ 138.08894 128.8
[M+NH4]+ 133.13354 128.3
[M+K]+ 154.06288 125.5
[M-H]- 114.09244 121.0
[M+Na-2H]- 136.07439 125.6
[M]+ 115.09917 121.7
[M]- 115.10027 121.7
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