CID 98880

N-decylacetamide

Structural Information

Molecular Formula
C12H25NO
SMILES
CCCCCCCCCCNC(=O)C
InChI
InChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-10-11-13-12(2)14/h3-11H2,1-2H3,(H,13,14)
InChIKey
DXFXMYYJKFIEGI-UHFFFAOYSA-N
Compound name
N-decylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

199.19362 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.20090 152.9
[M+Na]+ 222.18284 156.9
[M-H]- 198.18634 152.2
[M+NH4]+ 217.22744 172.1
[M+K]+ 238.15678 155.4
[M+H-H2O]+ 182.19088 147.0
[M+HCOO]- 244.19182 175.2
[M+CH3COO]- 258.20747 191.4
[M+Na-2H]- 220.16829 155.7
[M]+ 199.19307 155.7
[M]- 199.19417 155.7
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

patents stripe