CID 13370228

3-ethylbicyclo(3.2.1)octane-3-carboxamide

Structural Information

Molecular Formula
C11H19NO
SMILES
CCC1(CC2CCC(C2)C1)C(=O)N
InChI
InChI=1S/C11H19NO/c1-2-11(10(12)13)6-8-3-4-9(5-8)7-11/h8-9H,2-7H2,1H3,(H2,12,13)
InChIKey
PEHOHEDRAIXEOC-UHFFFAOYSA-N
Compound name
3-ethylbicyclo[3.2.1]octane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.14667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.153946 143.1
[M+Na]+ 204.135888 148.3
[M-H]- 180.139394 144.8
[M+NH4]+ 199.180493 167.8
[M+K]+ 220.109828 145.9
[M+H-H2O]+ 164.143930 138.6
[M+HCOO]- 226.144871 161.3
[M+CH3COO]- 240.160521 184.3
[M+Na-2H]- 202.121336 146.4
[M]+ 181.14612142 138.4
[M]- 181.14721858 138.4
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

patents stripe