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]+ 247.16524 159.8
[M+Na]+ 269.14718 162.9
[M-H]- 245.15068 157.7
[M+NH4]+ 264.19178 175.4
[M+K]+ 285.12112 163.5
[M+H-H2O]+ 229.15522 154.2
[M+HCOO]- 291.15616 177.7
[M+CH3COO]- 305.17181 197.3
[M+Na-2H]- 267.13263 159.0
[M]+ 246.15741 159.4
[M]- 246.15851 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.