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 147.0
[M+Na]+ 216.13589 151.1
[M-H]- 192.13939 143.2
[M+NH4]+ 211.18049 172.3
[M+K]+ 232.10983 148.4
[M+H-H2O]+ 176.14393 142.5
[M+HCOO]- 238.14487 159.1
[M+CH3COO]- 252.16052 157.2
[M+Na-2H]- 214.12134 156.7
[M]+ 193.14612 147.3
[M]- 193.14722 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.