CID 13010975

4-(1-methylcyclohexyl)phenol

Structural Information

Molecular Formula
C13H18O
SMILES
CC1(CCCCC1)C2=CC=C(C=C2)O
InChI
InChI=1S/C13H18O/c1-13(9-3-2-4-10-13)11-5-7-12(14)8-6-11/h5-8,14H,2-4,9-10H2,1H3
InChIKey
UOQFNJRFWDXINJ-UHFFFAOYSA-N
Compound name
4-(1-methylcyclohexyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

190.13577 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14305 144.5
[M+Na]+ 213.12499 157.6
[M+NH4]+ 208.16959 155.9
[M+K]+ 229.09893 147.9
[M-H]- 189.12849 149.3
[M+Na-2H]- 211.11044 154.2
[M]+ 190.13522 148.0
[M]- 190.13632 148.0
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