CID 14106349

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

Structural Information

Molecular Formula
C11H21NO5
SMILES
CC(C)(C)OC(=O)N(C)CC(CO)C(=O)OC
InChI
InChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12(4)6-8(7-13)9(14)16-5/h8,13H,6-7H2,1-5H3
InChIKey
KUNOSIAOXSNNTF-UHFFFAOYSA-N
Compound name
methyl 2-(hydroxymethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.14197 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14925 157.0
[M+Na]+ 270.13119 161.6
[M-H]- 246.13469 157.1
[M+NH4]+ 265.17579 174.1
[M+K]+ 286.10513 163.8
[M+H-H2O]+ 230.13923 151.8
[M+HCOO]- 292.14017 176.5
[M+CH3COO]- 306.15582 196.5
[M+Na-2H]- 268.11664 158.0
[M]+ 247.14142 161.9
[M]- 247.14252 161.9
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.