CID 21087750

Refchem:907316

Structural Information

Molecular Formula
C24H40O3
SMILES
CCCCCCC(C)(C)C1=CC(=C(C(=C1)OC)C2(CCCC(C2)C)O)OC
InChI
InChI=1S/C24H40O3/c1-7-8-9-10-13-23(3,4)19-15-20(26-5)22(21(16-19)27-6)24(25)14-11-12-18(2)17-24/h15-16,18,25H,7-14,17H2,1-6H3
InChIKey
QRVATYZBDQGJCP-UHFFFAOYSA-N
Compound name
1-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-3-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

12
Patents

376.29776 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.30504 196.6
[M+Na]+ 399.28698 200.2
[M-H]- 375.29048 200.6
[M+NH4]+ 394.33158 210.5
[M+K]+ 415.26092 196.6
[M+H-H2O]+ 359.29502 189.5
[M+HCOO]- 421.29596 210.7
[M+CH3COO]- 435.31161 221.2
[M+Na-2H]- 397.27243 195.6
[M]+ 376.29721 198.9
[M]- 376.29831 198.9
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

No patent data available for this compound.