CID 4606632

4-amino-2-cyclohexylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

191.13101 Da
Monoisotopic Mass

3.4
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

No literature data available for this compound.

Patent stripe

patents stripe