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

27
Patents

217.13141 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.138686 150.4
[M+Na]+ 240.120628 154.9
[M-H]- 216.124134 149.2
[M+NH4]+ 235.165233 168.0
[M+K]+ 256.094568 156.0
[M+H-H2O]+ 200.128670 145.7
[M+HCOO]- 262.129611 168.4
[M+CH3COO]- 276.145261 189.6
[M+Na-2H]- 238.106076 151.1
[M]+ 217.13086142 151.6
[M]- 217.13195858 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