CID 78288

Boc-glycine

Structural Information

Molecular Formula

C₇H₁₃NO₄

SMILES

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

InChI

InChI=1S/C7H13NO4/c1-7(2,3)12-6(11)8-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)

InChIKey

VRPJIFMKZZEXLR-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 20
References: 22734
Patents: 175.08446 Da
Monoisotopic Mass: 0.5
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]+	176.091736	137.3
[M+Na]+	198.073678	143.4
[M-H]-	174.077184	136.4
[M+NH4]+	193.118283	156.6
[M+K]+	214.047618	144.1
[M+H-H2O]+	158.081720	132.8
[M+HCOO]-	220.082661	158.1
[M+CH3COO]-	234.098311	178.6
[M+Na-2H]-	196.059126	141.9
[M]+	175.08391142	138.5
[M]-	175.08500858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe