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

43
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 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

literature stripe

Patent stripe

patents stripe