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

158
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 142.9
[M+Na]+ 214.12023 147.9
[M-H]- 190.12373 147.3
[M+NH4]+ 209.16483 161.1
[M+K]+ 230.09417 144.3
[M+H-H2O]+ 174.12827 136.3
[M+HCOO]- 236.12921 162.8
[M+CH3COO]- 250.14486 183.0
[M+Na-2H]- 212.10568 146.5
[M]+ 191.13046 135.6
[M]- 191.13156 135.6
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