CID 178200924

4-{[(tert-butoxy)carbonyl]amino}-3,3-dimethyl-2-oxobutanoic acid

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)NCC(C)(C)C(=O)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(16)12-6-11(4,5)7(13)8(14)15/h6H2,1-5H3,(H,12,16)(H,14,15)
InChIKey
PAWQJSXHOYLWBS-UHFFFAOYSA-N
Compound name
3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.12633 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.133606 154.1
[M+Na]+ 268.115548 159.0
[M-H]- 244.119054 153.0
[M+NH4]+ 263.160153 170.6
[M+K]+ 284.089488 159.8
[M+H-H2O]+ 228.123590 149.8
[M+HCOO]- 290.124531 171.7
[M+CH3COO]- 304.140181 193.3
[M+Na-2H]- 266.100996 157.0
[M]+ 245.12578142 156.6
[M]- 245.12687858 156.6
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

No patent data available for this compound.