CID 124107623

2054933-74-1

Structural Information

Molecular Formula
C13H26N2O4
SMILES
CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)N(C)C
InChI
InChI=1S/C13H26N2O4/c1-13(2,3)19-12(18)14-9-7-6-8-10(11(16)17)15(4)5/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKey
YSGAMWCUFJBECL-JTQLQIEISA-N
Compound name
(2S)-2-(dimethylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

274.18927 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.19655 166.9
[M+Na]+ 297.17849 171.0
[M+NH4]+ 292.22309 170.4
[M+K]+ 313.15243 169.7
[M-H]- 273.18199 163.5
[M+Na-2H]- 295.16394 166.0
[M]+ 274.18872 165.8
[M]- 274.18982 165.8
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