CID 19764

N-dodecylacetamide

Structural Information

Molecular Formula
C14H29NO
SMILES
CCCCCCCCCCCCNC(=O)C
InChI
InChI=1S/C14H29NO/c1-3-4-5-6-7-8-9-10-11-12-13-15-14(2)16/h3-13H2,1-2H3,(H,15,16)
InChIKey
MDYPFOFSXHBHFE-UHFFFAOYSA-N
Compound name
N-dodecylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1631
Patents

227.22491 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.232186 162.0
[M+Na]+ 250.214128 165.2
[M-H]- 226.217634 160.9
[M+NH4]+ 245.258733 180.1
[M+K]+ 266.188068 163.1
[M+H-H2O]+ 210.222170 155.7
[M+HCOO]- 272.223111 183.6
[M+CH3COO]- 286.238761 197.4
[M+Na-2H]- 248.199576 163.7
[M]+ 227.22436142 165.5
[M]- 227.22545858 165.5
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