CID 45928

63979-60-2

Structural Information

Molecular Formula
C16H33NO4
SMILES
CCCCCCCCCCCC(=O)NC(CO)(CO)CO
InChI
InChI=1S/C16H33NO4/c1-2-3-4-5-6-7-8-9-10-11-15(21)17-16(12-18,13-19)14-20/h18-20H,2-14H2,1H3,(H,17,21)
InChIKey
MMADMMLGVQSDTK-UHFFFAOYSA-N
Compound name
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

303.24097 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.24825 179.6
[M+Na]+ 326.23019 180.7
[M-H]- 302.23369 173.9
[M+NH4]+ 321.27479 192.2
[M+K]+ 342.20413 177.6
[M+H-H2O]+ 286.23823 173.4
[M+HCOO]- 348.23917 195.1
[M+CH3COO]- 362.25482 202.2
[M+Na-2H]- 324.21564 179.7
[M]+ 303.24042 181.8
[M]- 303.24152 181.8
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