CID 10313164

1,1-dimethyl-2,3-dimethylidenecyclohexane

Structural Information

Molecular Formula
C10H16
SMILES
CC1(CCCC(=C)C1=C)C
InChI
InChI=1S/C10H16/c1-8-6-5-7-10(3,4)9(8)2/h1-2,5-7H2,3-4H3
InChIKey
DUNVVCSHCNSQOY-UHFFFAOYSA-N
Compound name
1,1-dimethyl-2,3-dimethylidenecyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

136.1252 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 127.9
[M+Na]+ 159.114418 135.2
[M-H]- 135.117924 131.5
[M+NH4]+ 154.159023 152.1
[M+K]+ 175.088358 133.0
[M+H-H2O]+ 119.122460 124.0
[M+HCOO]- 181.123401 148.2
[M+CH3COO]- 195.139051 175.6
[M+Na-2H]- 157.099866 132.7
[M]+ 136.12465142 123.5
[M]- 136.12574858 123.5
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

patents stripe