CID 59166454

181518-87-6

Structural Information

Molecular Formula
C11H22N2O4
SMILES
CC(C)(C)OC(=O)N[C@@H](CCN(C)C)C(=O)O
InChI
InChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)12-8(9(14)15)6-7-13(4)5/h8H,6-7H2,1-5H3,(H,12,16)(H,14,15)/t8-/m0/s1
InChIKey
YEKMUOMXRLSQDM-QMMMGPOBSA-N
Compound name
(2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

246.15796 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16524 158.9
[M+Na]+ 269.14718 162.4
[M-H]- 245.15068 158.8
[M+NH4]+ 264.19178 175.6
[M+K]+ 285.12112 164.2
[M+H-H2O]+ 229.15522 153.1
[M+HCOO]- 291.15616 179.0
[M+CH3COO]- 305.17181 200.2
[M+Na-2H]- 267.13263 159.8
[M]+ 246.15741 161.4
[M]- 246.15851 161.4
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

patents stripe