CID 546027

61141-98-8

Structural Information

Molecular Formula
C16H28
SMILES
CC1C(CC(CC1C=C)C=C)CC(C)(C)C
InChI
InChI=1S/C16H28/c1-7-13-9-14(8-2)12(3)15(10-13)11-16(4,5)6/h7-8,12-15H,1-2,9-11H2,3-6H3
InChIKey
JZRTWPJJQZRSKY-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylpropyl)-3,5-bis(ethenyl)-2-methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.2191 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.226376 155.0
[M+Na]+ 243.208318 160.4
[M-H]- 219.211824 157.9
[M+NH4]+ 238.252923 174.4
[M+K]+ 259.182258 156.9
[M+H-H2O]+ 203.216360 150.2
[M+HCOO]- 265.217301 171.8
[M+CH3COO]- 279.232951 195.1
[M+Na-2H]- 241.193766 155.5
[M]+ 220.21855142 152.5
[M]- 220.21964858 152.5
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.