CID 73557112

108797-87-1

Structural Information

Molecular Formula
C15H28
SMILES
CC1=CCC(CC1)C(C)CCCC(C)C
InChI
InChI=1S/C15H28/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h8,12,14-15H,5-7,9-11H2,1-4H3
InChIKey
OKLFZUUDPLLEOZ-UHFFFAOYSA-N
Compound name
1-methyl-4-(6-methylheptan-2-yl)cyclohexene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

208.2191 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.22638 154.9
[M+Na]+ 231.20832 158.2
[M-H]- 207.21182 157.2
[M+NH4]+ 226.25292 174.0
[M+K]+ 247.18226 156.2
[M+H-H2O]+ 191.21636 148.9
[M+HCOO]- 253.21730 172.5
[M+CH3COO]- 267.23295 193.2
[M+Na-2H]- 229.19377 154.7
[M]+ 208.21855 153.2
[M]- 208.21965 153.2
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