CID 20528719

2-(azepan-4-yl)ethan-1-ol

Structural Information

Molecular Formula
C8H17NO
SMILES
C1CC(CCNC1)CCO
InChI
InChI=1S/C8H17NO/c10-7-4-8-2-1-5-9-6-3-8/h8-10H,1-7H2
InChIKey
MUOUCYOATBNGTO-UHFFFAOYSA-N
Compound name
2-(azepan-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

143.13101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 128.8
[M+Na]+ 166.12023 130.8
[M-H]- 142.12373 128.4
[M+NH4]+ 161.16483 145.9
[M+K]+ 182.09417 132.9
[M+H-H2O]+ 126.12827 122.9
[M+HCOO]- 188.12921 144.7
[M+CH3COO]- 202.14486 171.4
[M+Na-2H]- 164.10568 133.4
[M]+ 143.13046 119.4
[M]- 143.13156 119.4
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