CID 177840470

Dtxsid901352976

Structural Information

Molecular Formula
C24H49NO2
SMILES
CCCCNCCOC(=O)CCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C24H49NO2/c1-4-5-20-25-21-22-27-24(26)19-17-15-13-11-9-7-6-8-10-12-14-16-18-23(2)3/h23,25H,4-22H2,1-3H3
InChIKey
YYYPRFDIDGKTOU-UHFFFAOYSA-N
Compound name
2-(butylamino)ethyl 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

383.37634 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.38362 210.4
[M+Na]+ 406.36556 209.0
[M-H]- 382.36906 207.2
[M+NH4]+ 401.41016 221.9
[M+K]+ 422.33950 205.4
[M+H-H2O]+ 366.37360 202.0
[M+HCOO]- 428.37454 227.8
[M+CH3COO]- 442.39019 229.8
[M+Na-2H]- 404.35101 205.5
[M]+ 383.37579 218.4
[M]- 383.37689 218.4
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

No patent data available for this compound.