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

29
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

No literature data available for this compound.

Patent stripe

patents stripe