CID 4123485

Hexadecanoic acid, 2-(dimethylamino)-

Structural Information

Molecular Formula
C18H37NO2
SMILES
CCCCCCCCCCCCCCC(C(=O)O)N(C)C
InChI
InChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18(20)21)19(2)3/h17H,4-16H2,1-3H3,(H,20,21)
InChIKey
DHYWSAPLZYWZSZ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)hexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

411
Patents

299.28244 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.28972 181.0
[M+Na]+ 322.27166 186.8
[M+NH4]+ 317.31626 186.0
[M+K]+ 338.24560 180.8
[M-H]- 298.27516 179.4
[M+Na-2H]- 320.25711 180.5
[M]+ 299.28189 180.9
[M]- 299.28299 180.9
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