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]+ 194.153946 147.0
[M+Na]+ 216.135888 151.1
[M-H]- 192.139394 143.2
[M+NH4]+ 211.180493 172.3
[M+K]+ 232.109828 148.4
[M+H-H2O]+ 176.143930 142.5
[M+HCOO]- 238.144871 159.1
[M+CH3COO]- 252.160521 157.2
[M+Na-2H]- 214.121336 156.7
[M]+ 193.14612142 147.3
[M]- 193.14721858 147.3
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.