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

2
Patents

181.14667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.15395 143.1
[M+Na]+ 204.13589 148.3
[M-H]- 180.13939 144.8
[M+NH4]+ 199.18049 167.8
[M+K]+ 220.10983 145.9
[M+H-H2O]+ 164.14393 138.6
[M+HCOO]- 226.14487 161.3
[M+CH3COO]- 240.16052 184.3
[M+Na-2H]- 202.12134 146.4
[M]+ 181.14612 138.4
[M]- 181.14722 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