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]+ 250.21654 159.3
[M+Na]+ 272.19848 159.6
[M-H]- 248.20198 156.4
[M+NH4]+ 267.24308 182.1
[M+K]+ 288.17242 156.0
[M+H-H2O]+ 232.20652 152.5
[M+HCOO]- 294.20746 167.4
[M+CH3COO]- 308.22311 167.1
[M+Na-2H]- 270.18393 166.6
[M]+ 249.20871 156.4
[M]- 249.20981 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.