CID 11990554

2-amino-1-cyclohexylethan-1-ol

Structural Information

Molecular Formula
C8H17NO
SMILES
C1CCC(CC1)C(CN)O
InChI
InChI=1S/C8H17NO/c9-6-8(10)7-4-2-1-3-5-7/h7-8,10H,1-6,9H2
InChIKey
MSIAFRBGOYFCND-UHFFFAOYSA-N
Compound name
2-amino-1-cyclohexylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

544
Patents

143.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 133.8
[M+Na]+ 166.12023 136.9
[M-H]- 142.12373 134.4
[M+NH4]+ 161.16483 153.6
[M+K]+ 182.09417 135.5
[M+H-H2O]+ 126.12827 128.2
[M+HCOO]- 188.12921 152.3
[M+CH3COO]- 202.14486 173.8
[M+Na-2H]- 164.10568 136.8
[M]+ 143.13046 126.0
[M]- 143.13156 126.0
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