CID 22345113

100930-72-1

Structural Information

Molecular Formula
C22H30O2
SMILES
CC1=CC(=C(C(=C1C)C2=C(C(=CC(=C2O)C(C)C)C)C)O)C(C)C
InChI
InChI=1S/C22H30O2/c1-11(2)17-9-13(5)15(7)19(21(17)23)20-16(8)14(6)10-18(12(3)4)22(20)24/h9-12,23-24H,1-8H3
InChIKey
HCJIFEXPVBCGPR-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-5,6-dimethyl-3-propan-2-ylphenyl)-3,4-dimethyl-6-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

326.22458 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.231856 178.6
[M+Na]+ 349.213798 187.6
[M-H]- 325.217304 184.0
[M+NH4]+ 344.258403 193.1
[M+K]+ 365.187738 183.1
[M+H-H2O]+ 309.221840 172.3
[M+HCOO]- 371.222781 195.6
[M+CH3COO]- 385.238431 216.7
[M+Na-2H]- 347.199246 173.7
[M]+ 326.22403142 181.8
[M]- 326.22512858 181.8
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