CID 8473

2,5-norbornadiene

Structural Information

Molecular Formula
C7H8
SMILES
C1C2C=CC1C=C2
InChI
InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2
InChIKey
SJYNFBVQFBRSIB-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]hepta-2,5-diene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

160
References

49056
Patents

92.0626 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.069876 116.6
[M+Na]+ 115.05182 125.6
[M-H]- 91.055324 120.1
[M+NH4]+ 110.09642 145.4
[M+K]+ 131.02576 124.2
[M+H-H2O]+ 75.059860 112.8
[M+HCOO]- 137.06080 141.6
[M+CH3COO]- 151.07645 132.4
[M+Na-2H]- 113.03727 124.1
[M]+ 92.062051 116.6
[M]- 92.063149 116.6
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

No patent data available for this compound.