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

53
Patents

326.22458 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.23186 178.6
[M+Na]+ 349.21380 187.6
[M-H]- 325.21730 184.0
[M+NH4]+ 344.25840 193.1
[M+K]+ 365.18774 183.1
[M+H-H2O]+ 309.22184 172.3
[M+HCOO]- 371.22278 195.6
[M+CH3COO]- 385.23843 216.7
[M+Na-2H]- 347.19925 173.7
[M]+ 326.22403 181.8
[M]- 326.22513 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