CID 192766

2-(n-methylhexadecanamido)acetic acid

Structural Information

Molecular Formula
C19H37NO3
SMILES
CCCCCCCCCCCCCCCC(=O)N(C)CC(=O)O
InChI
InChI=1S/C19H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20(2)17-19(22)23/h3-17H2,1-2H3,(H,22,23)
InChIKey
LFJJOPDNPVFCNZ-UHFFFAOYSA-N
Compound name
2-[hexadecanoyl(methyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

6568
Patents

327.27734 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.28462 190.0
[M+Na]+ 350.26656 190.8
[M-H]- 326.27006 187.9
[M+NH4]+ 345.31116 203.6
[M+K]+ 366.24050 188.8
[M+H-H2O]+ 310.27460 182.5
[M+HCOO]- 372.27554 208.6
[M+CH3COO]- 386.29119 217.0
[M+Na-2H]- 348.25201 186.6
[M]+ 327.27679 196.2
[M]- 327.27789 196.2
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