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

8
Patents

122.10955 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.11683 126.3
[M+Na]+ 145.09877 132.6
[M-H]- 121.10227 128.7
[M+NH4]+ 140.14337 152.1
[M+K]+ 161.07271 130.2
[M+H-H2O]+ 105.10681 122.0
[M+HCOO]- 167.10775 145.7
[M+CH3COO]- 181.12340 171.8
[M+Na-2H]- 143.08422 131.4
[M]+ 122.10900 121.5
[M]- 122.11010 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