CID 96112

95-17-0

Structural Information

Molecular Formula
C8H11NO
SMILES
C1C2CC(C1C=C2)C(=O)N
InChI
InChI=1S/C8H11NO/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H2,9,10)
InChIKey
ZTUUVDYQBLRAAC-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]hept-5-ene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

444
Patents

137.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 128.0
[M+Na]+ 160.07328 136.0
[M+NH4]+ 155.11788 137.3
[M+K]+ 176.04722 134.6
[M-H]- 136.07678 128.6
[M+Na-2H]- 158.05873 129.9
[M]+ 137.08351 128.9
[M]- 137.08461 128.9
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