CID 55263774

787563-98-8

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CN(C)C(=O)C1CCN1

InChI

InChI=1S/C6H12N2O/c1-8(2)6(9)5-3-4-7-5/h5,7H,3-4H2,1-2H3

InChIKey

MZSZTPCVGHBDNX-UHFFFAOYSA-N

Compound name

N,N-dimethylazetidine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 128.09496 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]+	129.10224	129.6
[M+Na]+	151.08418	133.9
[M-H]-	127.08768	131.6
[M+NH4]+	146.12878	143.3
[M+K]+	167.05812	137.4
[M+H-H2O]+	111.09222	118.0
[M+HCOO]-	173.09316	149.7
[M+CH3COO]-	187.10881	178.2
[M+Na-2H]-	149.06963	133.8
[M]+	128.09441	135.6
[M]-	128.09551	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe