CID 55290474

1-(4-aminocyclohexyl)ethan-1-ol hydrochloride

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(C1CCC(CC1)N)O
InChI
InChI=1S/C8H17NO/c1-6(10)7-2-4-8(9)5-3-7/h6-8,10H,2-5,9H2,1H3
InChIKey
PLNAXKOVJPEUQU-UHFFFAOYSA-N
Compound name
1-(4-aminocyclohexyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
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 133.5
[M+Na]+ 166.12023 137.6
[M-H]- 142.12373 134.5
[M+NH4]+ 161.16483 153.7
[M+K]+ 182.09417 136.3
[M+H-H2O]+ 126.12827 128.3
[M+HCOO]- 188.12921 152.1
[M+CH3COO]- 202.14486 174.9
[M+Na-2H]- 164.10568 135.9
[M]+ 143.13046 126.2
[M]- 143.13156 126.2
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