CID 138373

3-methylidenebicyclo[3.2.1]octane

Structural Information

Molecular Formula
C9H14
SMILES
C=C1CC2CCC(C2)C1
InChI
InChI=1S/C9H14/c1-7-4-8-2-3-9(5-7)6-8/h8-9H,1-6H2
InChIKey
WHZYMMAAJCRPGM-UHFFFAOYSA-N
Compound name
3-methylidenebicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

238
Patents

122.10955 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.116826 126.3
[M+Na]+ 145.098768 132.6
[M-H]- 121.102274 128.7
[M+NH4]+ 140.143373 152.1
[M+K]+ 161.072708 130.2
[M+H-H2O]+ 105.106810 122.0
[M+HCOO]- 167.107751 145.7
[M+CH3COO]- 181.123401 171.8
[M+Na-2H]- 143.084216 131.4
[M]+ 122.10900142 121.5
[M]- 122.11009858 121.5
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