CID 136324

2-methylene-bicyclo(2.2.1)heptane

Structural Information

Molecular Formula
C8H12
SMILES
C=C1CC2CCC1C2
InChI
InChI=1S/C8H12/c1-6-4-7-2-3-8(6)5-7/h7-8H,1-5H2
InChIKey
AJQVASAUQUTVJK-UHFFFAOYSA-N
Compound name
2-methylidenebicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

445
Patents

108.0939 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.10118 124.1
[M+Na]+ 131.08312 131.7
[M-H]- 107.08662 126.9
[M+NH4]+ 126.12772 152.2
[M+K]+ 147.05706 129.7
[M+H-H2O]+ 91.091160 120.3
[M+HCOO]- 153.09210 145.9
[M+CH3COO]- 167.10775 169.0
[M+Na-2H]- 129.06857 128.2
[M]+ 108.09335 121.1
[M]- 108.09445 121.1
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