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

270
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 120.2
[M+Na]+ 138.08894 123.0
[M-H]- 114.09244 120.1
[M+NH4]+ 133.13354 138.3
[M+K]+ 154.06288 125.6
[M+H-H2O]+ 98.096980 114.7
[M+HCOO]- 160.09792 136.7
[M+CH3COO]- 174.11357 165.6
[M+Na-2H]- 136.07439 125.8
[M]+ 115.09917 110.1
[M]- 115.10027 110.1
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

No patent data available for this compound.