CID 89250

1-methyl-4-(1-methyleneallyl)cyclohexene

Structural Information

Molecular Formula
C11H16
SMILES
CC1=CCC(CC1)C(=C)C=C
InChI
InChI=1S/C11H16/c1-4-10(3)11-7-5-9(2)6-8-11/h4-5,11H,1,3,6-8H2,2H3
InChIKey
JYGOLEQLBBTOMP-UHFFFAOYSA-N
Compound name
4-buta-1,3-dien-2-yl-1-methylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.1252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.132476 133.0
[M+Na]+ 171.114418 138.8
[M-H]- 147.117924 136.1
[M+NH4]+ 166.159023 154.4
[M+K]+ 187.088358 136.3
[M+H-H2O]+ 131.122460 127.9
[M+HCOO]- 193.123401 153.4
[M+CH3COO]- 207.139051 178.4
[M+Na-2H]- 169.099866 136.4
[M]+ 148.12465142 129.1
[M]- 148.12574858 129.1
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.