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

57
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 133.5
[M+Na]+ 166.120228 137.6
[M-H]- 142.123734 134.5
[M+NH4]+ 161.164833 153.7
[M+K]+ 182.094168 136.3
[M+H-H2O]+ 126.128270 128.3
[M+HCOO]- 188.129211 152.1
[M+CH3COO]- 202.144861 174.9
[M+Na-2H]- 164.105676 135.9
[M]+ 143.13046142 126.2
[M]- 143.13155858 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