CID 50400

Brn 2645042

Structural Information

Molecular Formula
C12H19NO
SMILES
CCCC1(CC2CCC1C=C2)C(=O)N
InChI
InChI=1S/C12H19NO/c1-2-7-12(11(13)14)8-9-3-5-10(12)6-4-9/h3,5,9-10H,2,4,6-8H2,1H3,(H2,13,14)
InChIKey
MYRIRZQNLDFPAY-UHFFFAOYSA-N
Compound name
2-propylbicyclo[2.2.2]oct-5-ene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 142.5
[M+Na]+ 216.13589 151.6
[M+NH4]+ 211.18049 154.4
[M+K]+ 232.10983 142.8
[M-H]- 192.13939 141.3
[M+Na-2H]- 214.12134 142.1
[M]+ 193.14612 143.4
[M]- 193.14722 143.4
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.