CID 146049221

2292569-93-6

Structural Information

Molecular Formula
C11H22N2O4
SMILES
CC(CCNC(=O)OC(C)(C)C)C(C(=O)O)N
InChI
InChI=1S/C11H22N2O4/c1-7(8(12)9(14)15)5-6-13-10(16)17-11(2,3)4/h7-8H,5-6,12H2,1-4H3,(H,13,16)(H,14,15)
InChIKey
HIVOHMZPCIHSSE-UHFFFAOYSA-N
Compound name
2-amino-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.15796 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.165236 159.8
[M+Na]+ 269.147178 162.9
[M-H]- 245.150684 157.7
[M+NH4]+ 264.191783 175.4
[M+K]+ 285.121118 163.5
[M+H-H2O]+ 229.155220 154.2
[M+HCOO]- 291.156161 177.7
[M+CH3COO]- 305.171811 197.3
[M+Na-2H]- 267.132626 159.0
[M]+ 246.15741142 159.4
[M]- 246.15850858 159.4
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

No patent data available for this compound.