CID 11790631

3-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylpropanoic acid

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC(C)(C)OC(=O)NCC(C)(C)C(=O)O
InChI
InChI=1S/C10H19NO4/c1-9(2,3)15-8(14)11-6-10(4,5)7(12)13/h6H2,1-5H3,(H,11,14)(H,12,13)
InChIKey
LSZXQEWVQORQBO-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
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 149.5
[M+Na]+ 240.12063 154.9
[M-H]- 216.12413 148.5
[M+NH4]+ 235.16523 167.3
[M+K]+ 256.09457 155.3
[M+H-H2O]+ 200.12867 145.3
[M+HCOO]- 262.12961 167.9
[M+CH3COO]- 276.14526 188.1
[M+Na-2H]- 238.10608 153.7
[M]+ 217.13086 151.5
[M]- 217.13196 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe