CID 516776

N-butyl[?]carboxamide

Structural Information

Molecular Formula
C16H27NO
SMILES
CCCCNC(=O)C12CCCC3C1CCC(C3)C2
InChI
InChI=1S/C16H27NO/c1-2-3-9-17-15(18)16-8-4-5-13-10-12(11-16)6-7-14(13)16/h12-14H,2-11H2,1H3,(H,17,18)
InChIKey
PWXGWYKJKXVGSZ-UHFFFAOYSA-N
Compound name
N-butyltricyclo[5.3.1.03,8]undecane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.20926 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.216536 159.3
[M+Na]+ 272.198478 159.6
[M-H]- 248.201984 156.4
[M+NH4]+ 267.243083 182.1
[M+K]+ 288.172418 156.0
[M+H-H2O]+ 232.206520 152.5
[M+HCOO]- 294.207461 167.4
[M+CH3COO]- 308.223111 167.1
[M+Na-2H]- 270.183926 166.6
[M]+ 249.20871142 156.4
[M]- 249.20980858 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.