CID 88615

2-(azepan-1-yl)ethanol

Structural Information

Molecular Formula
C8H17NO
SMILES
C1CCCN(CC1)CCO
InChI
InChI=1S/C8H17NO/c10-8-7-9-5-3-1-2-4-6-9/h10H,1-8H2
InChIKey
VMRYMOMQCYSPHS-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

475
Patents

143.13101 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 127.9
[M+Na]+ 166.12023 130.2
[M-H]- 142.12373 128.7
[M+NH4]+ 161.16483 145.6
[M+K]+ 182.09417 133.1
[M+H-H2O]+ 126.12827 121.8
[M+HCOO]- 188.12921 145.1
[M+CH3COO]- 202.14486 173.9
[M+Na-2H]- 164.10568 132.9
[M]+ 143.13046 120.2
[M]- 143.13156 120.2
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