CID 21087750

Schembl5347020

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

3
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

literature stripe

Patent stripe

patents stripe