CID 44147520

Einecs 297-754-8

Structural Information

Molecular Formula
C14H27NO3
SMILES
CCC(C)C(C(C)CC)C(=O)NCC(=O)OCC
InChI
InChI=1S/C14H27NO3/c1-6-10(4)13(11(5)7-2)14(17)15-9-12(16)18-8-3/h10-11,13H,6-9H2,1-5H3,(H,15,17)
InChIKey
AQVUPTVYWCWOKI-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-butan-2-yl-3-methylpentanoyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1991 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.206376 167.6
[M+Na]+ 280.188318 170.3
[M-H]- 256.191824 166.9
[M+NH4]+ 275.232923 184.1
[M+K]+ 296.162258 170.6
[M+H-H2O]+ 240.196360 161.5
[M+HCOO]- 302.197301 186.0
[M+CH3COO]- 316.212951 203.3
[M+Na-2H]- 278.173766 164.4
[M]+ 257.19855142 170.7
[M]- 257.19964858 170.7
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.