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

165
Patents

191.13101 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 142.9
[M+Na]+ 214.120228 147.9
[M-H]- 190.123734 147.3
[M+NH4]+ 209.164833 161.1
[M+K]+ 230.094168 144.3
[M+H-H2O]+ 174.128270 136.3
[M+HCOO]- 236.129211 162.8
[M+CH3COO]- 250.144861 183.0
[M+Na-2H]- 212.105676 146.5
[M]+ 191.13046142 135.6
[M]- 191.13155858 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