CID 4986879

N-butylbicyclo[2.2.1]heptane-2-carboxamide

Structural Information

Molecular Formula
C12H21NO
SMILES
CCCCNC(=O)C1CC2CCC1C2
InChI
InChI=1S/C12H21NO/c1-2-3-6-13-12(14)11-8-9-4-5-10(11)7-9/h9-11H,2-8H2,1H3,(H,13,14)
InChIKey
KQFMHWYRMVMWEF-UHFFFAOYSA-N
Compound name
N-butylbicyclo[2.2.1]heptane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.169586 149.8
[M+Na]+ 218.151528 154.4
[M-H]- 194.155034 151.8
[M+NH4]+ 213.196133 174.0
[M+K]+ 234.125468 152.2
[M+H-H2O]+ 178.159570 144.8
[M+HCOO]- 240.160511 170.4
[M+CH3COO]- 254.176161 187.8
[M+Na-2H]- 216.136976 151.1
[M]+ 195.16176142 148.2
[M]- 195.16285858 148.2
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.