CID 520453

Bisabolane

Structural Information

Molecular Formula
C15H30
SMILES
CC1CCC(CC1)C(C)CCCC(C)C
InChI
InChI=1S/C15H30/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h12-15H,5-11H2,1-4H3
InChIKey
NOWQRWPUNHMSAF-UHFFFAOYSA-N
Compound name
1-methyl-4-(6-methylheptan-2-yl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

554
References

345
Patents

210.23476 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.24204 156.9
[M+Na]+ 233.22398 159.1
[M-H]- 209.22748 158.8
[M+NH4]+ 228.26858 175.8
[M+K]+ 249.19792 157.4
[M+H-H2O]+ 193.23202 150.9
[M+HCOO]- 255.23296 173.0
[M+CH3COO]- 269.24861 193.6
[M+Na-2H]- 231.20943 155.7
[M]+ 210.23421 153.7
[M]- 210.23531 153.7
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.