CID 21475092

388072-71-7

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC(C(C)NC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C10H19NO4/c1-6(8(12)13)7(2)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)
InChIKey
VZHAMECIWIQGRU-UHFFFAOYSA-N
Compound name
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

217.13141 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 150.4
[M+Na]+ 240.12063 154.9
[M-H]- 216.12413 149.2
[M+NH4]+ 235.16523 168.0
[M+K]+ 256.09457 156.0
[M+H-H2O]+ 200.12867 145.7
[M+HCOO]- 262.12961 168.4
[M+CH3COO]- 276.14526 189.6
[M+Na-2H]- 238.10608 151.1
[M]+ 217.13086 151.6
[M]- 217.13196 151.6
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