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

27
Patents

124.1252 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.13248 127.3
[M+Na]+ 147.11442 132.9
[M-H]- 123.11792 130.3
[M+NH4]+ 142.15902 149.7
[M+K]+ 163.08836 131.3
[M+H-H2O]+ 107.12246 122.4
[M+HCOO]- 169.12340 147.8
[M+CH3COO]- 183.13905 172.8
[M+Na-2H]- 145.09987 132.0
[M]+ 124.12465 122.6
[M]- 124.12575 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