CID 21671

Cyclohexene, 1-methyl-4-(1-methylethyl)-

Structural Information

Molecular Formula
C10H18
SMILES
CC1=CCC(CC1)C(C)C
InChI
InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3
InChIKey
FAMJUFMHYAFYNU-UHFFFAOYSA-N
Compound name
1-methyl-4-propan-2-ylcyclohexene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

1925
Patents

138.14085 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.14813 131.9
[M+Na]+ 161.13007 144.0
[M+NH4]+ 156.17467 141.9
[M+K]+ 177.10401 137.0
[M-H]- 137.13357 134.9
[M+Na-2H]- 159.11552 138.2
[M]+ 138.14030 134.5
[M]- 138.14140 134.5
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