CID 637609

N-boc-glycine methyl ester

Structural Information

Molecular Formula

C₈H₁₅NO₄

SMILES

CC(C)(C)OC(=O)NCC(=O)OC

InChI

InChI=1S/C8H15NO4/c1-8(2,3)13-7(11)9-5-6(10)12-4/h5H2,1-4H3,(H,9,11)

InChIKey

PHUZOEOLWIHIKH-UHFFFAOYSA-N

Compound name

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 851
Patents: 189.10011 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.10739	141.3
[M+Na]+	212.08933	147.6
[M-H]-	188.09283	141.8
[M+NH4]+	207.13393	161.0
[M+K]+	228.06327	149.0
[M+H-H2O]+	172.09737	136.6
[M+HCOO]-	234.09831	163.5
[M+CH3COO]-	248.11396	183.5
[M+Na-2H]-	210.07478	146.0
[M]+	189.09956	144.9
[M]-	189.10066	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe