CID 57493859

2-methylidenespiro[3.3]heptane

Structural Information

Molecular Formula
C8H12
SMILES
C=C1CC2(C1)CCC2
InChI
InChI=1S/C8H12/c1-7-5-8(6-7)3-2-4-8/h1-6H2
InChIKey
GIHMMLGMHDXGFJ-UHFFFAOYSA-N
Compound name
2-methylidenespiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

108.0939 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.101176 113.1
[M+Na]+ 131.083118 118.6
[M-H]- 107.086624 119.0
[M+NH4]+ 126.127723 124.9
[M+K]+ 147.057058 122.4
[M+H-H2O]+ 91.091160 101.6
[M+HCOO]- 153.092101 132.4
[M+CH3COO]- 167.107751 182.5
[M+Na-2H]- 129.068566 120.7
[M]+ 108.09335142 126.6
[M]- 108.09444858 126.6
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