CID 21777398

1-methyl-4-(prop-1-en-2-yl)-3-(2,6,10-trimethyl-dodec-11-en-6-yl)-cyclohex-1-ene

Structural Information

Molecular Formula
C25H44
SMILES
CC1=CC(C(CC1)C(=C)C)C(C)(CCCC(C)C)CCCC(C)C=C
InChI
InChI=1S/C25H44/c1-9-21(6)13-11-17-25(8,16-10-12-19(2)3)24-18-22(7)14-15-23(24)20(4)5/h9,18-19,21,23-24H,1,4,10-17H2,2-3,5-8H3
InChIKey
BOZVIOBNRKAICT-UHFFFAOYSA-N
Compound name
1-methyl-4-prop-1-en-2-yl-3-(2,6,10-trimethyldodec-11-en-6-yl)cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.3443 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.35158 193.4
[M+Na]+ 367.33352 194.3
[M-H]- 343.33702 194.6
[M+NH4]+ 362.37812 207.1
[M+K]+ 383.30746 189.6
[M+H-H2O]+ 327.34156 186.9
[M+HCOO]- 389.34250 205.6
[M+CH3COO]- 403.35815 223.7
[M+Na-2H]- 365.31897 187.2
[M]+ 344.34375 193.4
[M]- 344.34485 193.4
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.