CID 4134035

129188-99-4

Structural Information

Molecular Formula

C₂₁H₂₆O₂

SMILES

CC1CC(CC(C1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)(C)C

InChI

InChI=1S/C21H26O2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15,22-23H,12-14H2,1-3H3

InChIKey

UMPGNGRIGSEMTC-UHFFFAOYSA-N

Compound name

4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 23116
Patents: 310.19327 Da
Monoisotopic Mass: 6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	311.20055	175.8
[M+Na]+	333.18249	182.6
[M-H]-	309.18599	183.1
[M+NH4]+	328.22709	193.3
[M+K]+	349.15643	177.3
[M+H-H2O]+	293.19053	168.3
[M+HCOO]-	355.19147	192.3
[M+CH3COO]-	369.20712	202.9
[M+Na-2H]-	331.16794	178.1
[M]+	310.19272	172.0
[M]-	310.19382	172.0

Literature stripe

literature stripe

Patent stripe

patents stripe