CID 61598767

Methyl 3-{[(tert-butoxy)carbonyl](methyl)amino}-2-methylpropanoate

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(CN(C)C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C11H21NO4/c1-8(9(13)15-6)7-12(5)10(14)16-11(2,3)4/h8H,7H2,1-6H3
InChIKey
UTZHJRIZVJUPBJ-UHFFFAOYSA-N
Compound name
methyl 2-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 153.6
[M+Na]+ 254.13628 158.8
[M-H]- 230.13978 155.3
[M+NH4]+ 249.18088 172.3
[M+K]+ 270.11022 161.3
[M+H-H2O]+ 214.14432 148.5
[M+HCOO]- 276.14526 174.4
[M+CH3COO]- 290.16091 197.0
[M+Na-2H]- 252.12173 155.1
[M]+ 231.14651 159.1
[M]- 231.14761 159.1
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.