CID 2734752

2-{[(tert-butoxy)carbonyl](methyl)amino}-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC(C)(C)OC(=O)N(C)C(C)(C)C(=O)O
InChI
InChI=1S/C10H19NO4/c1-9(2,3)15-8(14)11(6)10(4,5)7(12)13/h1-6H3,(H,12,13)
InChIKey
KPDLITGXUYMJEC-UHFFFAOYSA-N
Compound name
2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

217.13141 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 147.7
[M+Na]+ 240.12063 153.3
[M-H]- 216.12413 148.2
[M+NH4]+ 235.16523 166.2
[M+K]+ 256.09457 155.2
[M+H-H2O]+ 200.12867 143.5
[M+HCOO]- 262.12961 166.6
[M+CH3COO]- 276.14526 191.6
[M+Na-2H]- 238.10608 151.4
[M]+ 217.13086 151.0
[M]- 217.13196 151.0
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