CID 71316466

103954-36-5

Structural Information

Molecular Formula
C12H24N2O4
SMILES
CCOC(=O)C(C)NCCCC[C@@H](C(=O)OC)N
InChI
InChI=1S/C12H24N2O4/c1-4-18-11(15)9(2)14-8-6-5-7-10(13)12(16)17-3/h9-10,14H,4-8,13H2,1-3H3/t9?,10-/m0/s1
InChIKey
WJTUJLFAVAPQNV-AXDSSHIGSA-N
Compound name
methyl (2S)-2-amino-6-[(1-ethoxy-1-oxopropan-2-yl)amino]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1736 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.180876 165.3
[M+Na]+ 283.162818 167.9
[M-H]- 259.166324 164.1
[M+NH4]+ 278.207423 180.9
[M+K]+ 299.136758 168.6
[M+H-H2O]+ 243.170860 158.5
[M+HCOO]- 305.171801 185.9
[M+CH3COO]- 319.187451 202.9
[M+Na-2H]- 281.148266 163.6
[M]+ 260.17305142 167.7
[M]- 260.17414858 167.7
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.