CID 16778147

926213-98-1

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

CN(CC(=O)O)C(=O)C1CC1

InChI

InChI=1S/C7H11NO3/c1-8(4-6(9)10)7(11)5-2-3-5/h5H,2-4H2,1H3,(H,9,10)

InChIKey

QSEXRJPSOUALOF-UHFFFAOYSA-N

Compound name

2-[cyclopropanecarbonyl(methyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 157.0739 Da
Monoisotopic Mass: -0.2
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]+	158.081176	132.1
[M+Na]+	180.063118	140.0
[M-H]-	156.066624	136.9
[M+NH4]+	175.107723	147.8
[M+K]+	196.037058	139.1
[M+H-H2O]+	140.071160	126.3
[M+HCOO]-	202.072101	155.1
[M+CH3COO]-	216.087751	182.9
[M+Na-2H]-	178.048566	135.9
[M]+	157.07335142	135.3
[M]-	157.07444858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe