CID 556532

4-ethyl-3-ethylidenecyclohexene

Structural Information

Molecular Formula
C10H16
SMILES
CCC1CCC=CC1=CC
InChI
InChI=1S/C10H16/c1-3-9-7-5-6-8-10(9)4-2/h3,5,7,10H,4,6,8H2,1-2H3
InChIKey
FFSJELANALHTTC-UHFFFAOYSA-N
Compound name
4-ethyl-3-ethylidenecyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

136.1252 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 130.0
[M+Na]+ 159.114418 136.3
[M-H]- 135.117924 133.2
[M+NH4]+ 154.159023 152.1
[M+K]+ 175.088358 134.2
[M+H-H2O]+ 119.122460 124.9
[M+HCOO]- 181.123401 151.6
[M+CH3COO]- 195.139051 174.8
[M+Na-2H]- 157.099866 135.2
[M]+ 136.12465142 127.0
[M]- 136.12574858 127.0
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