CID 78962

Nortricyclene

Structural Information

Molecular Formula
C7H10
SMILES
C1C2CC3C1C3C2
InChI
InChI=1S/C7H10/c1-4-2-6-5(1)7(6)3-4/h4-7H,1-3H2
InChIKey
BYBGSCXPMGPLFP-UHFFFAOYSA-N
Compound name
tricyclo[2.2.1.02,6]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1047
Patents

94.07825 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.085526 111.5
[M+Na]+ 117.06747 122.1
[M+NH4]+ 112.11207 124.3
[M+K]+ 133.04141 122.4
[M-H]- 93.070974 117.9
[M+Na-2H]- 115.05292 113.8
[M]+ 94.077701 115.8
[M]- 94.078799 115.8
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