CID 3075922

129320-10-1

Structural Information

Molecular Formula
C20H41NO2
SMILES
CCCCCCCCCCCCCCCC(=O)OCCN(C)C
InChI
InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21(2)3/h4-19H2,1-3H3
InChIKey
XSKSOLBYWOVVBN-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

327.31372 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.32100 192.6
[M+Na]+ 350.30294 193.4
[M-H]- 326.30644 191.7
[M+NH4]+ 345.34754 207.2
[M+K]+ 366.27688 191.6
[M+H-H2O]+ 310.31098 184.7
[M+HCOO]- 372.31192 212.9
[M+CH3COO]- 386.32757 220.7
[M+Na-2H]- 348.28839 190.3
[M]+ 327.31317 201.1
[M]- 327.31427 201.1
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