CID 17773621

4-(2-aminoethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C8H17NO
SMILES
C1CC(CCC1CCN)O
InChI
InChI=1S/C8H17NO/c9-6-5-7-1-3-8(10)4-2-7/h7-8,10H,1-6,9H2
InChIKey
FNHBFOVJIPXNFL-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

143.13101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 132.9
[M+Na]+ 166.120228 137.3
[M-H]- 142.123734 133.9
[M+NH4]+ 161.164833 153.1
[M+K]+ 182.094168 135.5
[M+H-H2O]+ 126.128270 127.6
[M+HCOO]- 188.129211 152.5
[M+CH3COO]- 202.144861 174.1
[M+Na-2H]- 164.105676 136.6
[M]+ 143.13046142 126.3
[M]- 143.13155858 126.3
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