CID 96895

2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxamide

Structural Information

Molecular Formula
C10H15NO
SMILES
CCC1(CC2CC1C=C2)C(=O)N
InChI
InChI=1S/C10H15NO/c1-2-10(9(11)12)6-7-3-4-8(10)5-7/h3-4,7-8H,2,5-6H2,1H3,(H2,11,12)
InChIKey
IZEDOOYSHYZLAI-UHFFFAOYSA-N
Compound name
2-ethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

165.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 138.3
[M+Na]+ 188.10459 145.8
[M-H]- 164.10809 141.0
[M+NH4]+ 183.14919 165.5
[M+K]+ 204.07853 143.5
[M+H-H2O]+ 148.11263 134.5
[M+HCOO]- 210.11357 160.5
[M+CH3COO]- 224.12922 180.9
[M+Na-2H]- 186.09004 141.9
[M]+ 165.11482 136.9
[M]- 165.11592 136.9
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