CID 14318456

109862-23-9

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

CC(C)(C(=O)OC)NC=O

InChI

InChI=1S/C6H11NO3/c1-6(2,7-4-8)5(9)10-3/h4H,1-3H3,(H,7,8)

InChIKey

HKSSKAONTKBOQG-UHFFFAOYSA-N

Compound name

methyl 2-formamido-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 145.0739 Da
Monoisotopic Mass: 0.1
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]+	146.081176	128.8
[M+Na]+	168.063118	136.0
[M-H]-	144.066624	129.5
[M+NH4]+	163.107723	150.1
[M+K]+	184.037058	136.8
[M+H-H2O]+	128.071160	124.5
[M+HCOO]-	190.072101	152.3
[M+CH3COO]-	204.087751	176.5
[M+Na-2H]-	166.048566	135.7
[M]+	145.07335142	131.1
[M]-	145.07444858	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe