CID 85304

2-(1-methylcyclohexyl)-p-cresol

Structural Information

Molecular Formula
C14H20O
SMILES
CC1=CC(=C(C=C1)O)C2(CCCCC2)C
InChI
InChI=1S/C14H20O/c1-11-6-7-13(15)12(10-11)14(2)8-4-3-5-9-14/h6-7,10,15H,3-5,8-9H2,1-2H3
InChIKey
MQVDCVRWVSDQNN-UHFFFAOYSA-N
Compound name
4-methyl-2-(1-methylcyclohexyl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1654
Patents

204.15141 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 147.5
[M+Na]+ 227.14063 153.5
[M-H]- 203.14413 152.6
[M+NH4]+ 222.18523 168.0
[M+K]+ 243.11457 150.2
[M+H-H2O]+ 187.14867 141.5
[M+HCOO]- 249.14961 166.4
[M+CH3COO]- 263.16526 184.3
[M+Na-2H]- 225.12608 151.8
[M]+ 204.15086 143.0
[M]- 204.15196 143.0
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