CID 3679277

2-amino-4-cyclohexylphenol

Structural Information

Molecular Formula
C12H17NO
SMILES
C1CCC(CC1)C2=CC(=C(C=C2)O)N
InChI
InChI=1S/C12H17NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h6-9,14H,1-5,13H2
InChIKey
LGIWCQVLZIYRAR-UHFFFAOYSA-N
Compound name
2-amino-4-cyclohexylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

191.13101 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.5
[M+Na]+ 214.12023 155.3
[M+NH4]+ 209.16483 152.8
[M+K]+ 230.09417 148.4
[M-H]- 190.12373 148.3
[M+Na-2H]- 212.10568 150.8
[M]+ 191.13046 146.4
[M]- 191.13156 146.4
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

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