CID 564542

3-ethylidenecycloheptene

Structural Information

Molecular Formula
C9H14
SMILES
CC=C1CCCCC=C1
InChI
InChI=1S/C9H14/c1-2-9-7-5-3-4-6-8-9/h2,5,7H,3-4,6,8H2,1H3
InChIKey
SYIBJHROSBOWGC-UHFFFAOYSA-N
Compound name
3-ethylidenecycloheptene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

122.10955 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.116826 121.1
[M+Na]+ 145.098768 124.8
[M-H]- 121.102274 125.1
[M+NH4]+ 140.143373 141.8
[M+K]+ 161.072708 127.2
[M+H-H2O]+ 105.106810 117.0
[M+HCOO]- 167.107751 142.2
[M+CH3COO]- 181.123401 173.2
[M+Na-2H]- 143.084216 127.3
[M]+ 122.10900142 114.4
[M]- 122.11009858 114.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe