CID 62346

495-62-5

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CCC(=C(C)CCC=C(C)C)CC1
InChI
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3
InChIKey
XBGUIVFBMBVUEG-UHFFFAOYSA-N
Compound name
1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

36
References

4406
Patents

204.1878 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 151.9
[M+Na]+ 227.17702 156.0
[M-H]- 203.18052 154.4
[M+NH4]+ 222.22162 171.2
[M+K]+ 243.15096 152.9
[M+H-H2O]+ 187.18506 146.2
[M+HCOO]- 249.18600 170.1
[M+CH3COO]- 263.20165 190.0
[M+Na-2H]- 225.16247 151.9
[M]+ 204.18725 148.7
[M]- 204.18835 148.7
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.