CID 549131

56335-70-7

Structural Information

Molecular Formula
C7H12
SMILES
CCC1CC(=C)C1
InChI
InChI=1S/C7H12/c1-3-7-4-6(2)5-7/h7H,2-5H2,1H3
InChIKey
IDCOKWFSONUPDS-UHFFFAOYSA-N
Compound name
1-ethyl-3-methylidenecyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

96.0939 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.101176 116.2
[M+Na]+ 119.083118 122.9
[M-H]- 95.086624 120.1
[M+NH4]+ 114.127723 133.6
[M+K]+ 135.057058 124.8
[M+H-H2O]+ 79.091160 107.4
[M+HCOO]- 141.092101 138.4
[M+CH3COO]- 155.107751 172.3
[M+Na-2H]- 117.068566 122.4
[M]+ 96.09335142 123.4
[M]- 96.09444858 123.4
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