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

17
Patents

274.18927 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.196546 168.1
[M+Na]+ 297.178488 170.9
[M-H]- 273.181994 167.7
[M+NH4]+ 292.223093 183.7
[M+K]+ 313.152428 172.2
[M+H-H2O]+ 257.186530 162.1
[M+HCOO]- 319.187471 187.6
[M+CH3COO]- 333.203121 206.2
[M+Na-2H]- 295.163936 168.1
[M]+ 274.18872142 171.5
[M]- 274.18981858 171.5
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