CID 50399

Brn 3199492

Structural Information

Molecular Formula
C10H15NO
SMILES
CC1(CC2CCC1C=C2)C(=O)N
InChI
InChI=1S/C10H15NO/c1-10(9(11)12)6-7-2-4-8(10)5-3-7/h2,4,7-8H,3,5-6H2,1H3,(H2,11,12)
InChIKey
UKWGNMKATXNYBI-UHFFFAOYSA-N
Compound name
2-methylbicyclo[2.2.2]oct-5-ene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.11537 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 137.6
[M+Na]+ 188.10459 142.7
[M-H]- 164.10809 134.3
[M+NH4]+ 183.14919 164.1
[M+K]+ 204.07853 140.4
[M+H-H2O]+ 148.11263 133.6
[M+HCOO]- 210.11357 150.5
[M+CH3COO]- 224.12922 148.7
[M+Na-2H]- 186.09004 148.5
[M]+ 165.11482 137.3
[M]- 165.11592 137.3
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.