CID 4123485

2-dimethylamino-hexadecanoic acid

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

469
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 184.3
[M+Na]+ 322.27166 185.2
[M-H]- 298.27516 182.4
[M+NH4]+ 317.31626 199.1
[M+K]+ 338.24560 183.5
[M+H-H2O]+ 282.27970 177.1
[M+HCOO]- 344.28064 202.8
[M+CH3COO]- 358.29629 213.6
[M+Na-2H]- 320.25711 181.3
[M]+ 299.28189 189.5
[M]- 299.28299 189.5
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