CID 57602807

1-ethyl-4-methylidenecyclohexane

Structural Information

Molecular Formula
C9H16
SMILES
CCC1CCC(=C)CC1
InChI
InChI=1S/C9H16/c1-3-9-6-4-8(2)5-7-9/h9H,2-7H2,1H3
InChIKey
YXHPPBUOBHJJEQ-UHFFFAOYSA-N
Compound name
1-ethyl-4-methylidenecyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

124.1252 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.132476 127.3
[M+Na]+ 147.114418 132.9
[M-H]- 123.117924 130.3
[M+NH4]+ 142.159023 149.7
[M+K]+ 163.088358 131.3
[M+H-H2O]+ 107.122460 122.4
[M+HCOO]- 169.123401 147.8
[M+CH3COO]- 183.139051 172.8
[M+Na-2H]- 145.099866 132.0
[M]+ 124.12465142 122.6
[M]- 124.12574858 122.6
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