CID 10942389

Azepan-2-ol

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CCC(NCC1)O
InChI
InChI=1S/C6H13NO/c8-6-4-2-1-3-5-7-6/h6-8H,1-5H2
InChIKey
VQNBRRLREAHNCQ-UHFFFAOYSA-N
Compound name
azepan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

115.09972 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 120.2
[M+Na]+ 138.088938 123.0
[M-H]- 114.092444 120.1
[M+NH4]+ 133.133543 138.3
[M+K]+ 154.062878 125.6
[M+H-H2O]+ 98.096980 114.7
[M+HCOO]- 160.097921 136.7
[M+CH3COO]- 174.113571 165.6
[M+Na-2H]- 136.074386 125.8
[M]+ 115.09917142 110.1
[M]- 115.10026858 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

literature stripe

Patent stripe

patents stripe