CID 170244

2,4,4,6,6-pentamethyl-2-heptene

Structural Information

Molecular Formula
C12H24
SMILES
CC(=CC(C)(C)CC(C)(C)C)C
InChI
InChI=1S/C12H24/c1-10(2)8-12(6,7)9-11(3,4)5/h8H,9H2,1-7H3
InChIKey
DRHABPMHZRIRAH-UHFFFAOYSA-N
Compound name
2,4,4,6,6-pentamethylhept-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2221
Patents

168.1878 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.19508 142.4
[M+Na]+ 191.17702 148.5
[M-H]- 167.18052 142.7
[M+NH4]+ 186.22162 163.8
[M+K]+ 207.15096 147.5
[M+H-H2O]+ 151.18506 139.0
[M+HCOO]- 213.18600 160.6
[M+CH3COO]- 227.20165 184.8
[M+Na-2H]- 189.16247 146.8
[M]+ 168.18725 143.7
[M]- 168.18835 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe