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]+ 144.138286 128.8
[M+Na]+ 166.120228 130.8
[M-H]- 142.123734 128.4
[M+NH4]+ 161.164833 145.9
[M+K]+ 182.094168 132.9
[M+H-H2O]+ 126.128270 122.9
[M+HCOO]- 188.129211 144.7
[M+CH3COO]- 202.144861 171.4
[M+Na-2H]- 164.105676 133.4
[M]+ 143.13046142 119.4
[M]- 143.13155858 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