CID 71757833

Ethyl 2-chloro-2-[(propan-2-yl)imino]acetate

Structural Information

Molecular Formula

C₇H₁₂ClNO₂

SMILES

CCOC(=O)C(=NC(C)C)Cl

InChI

InChI=1S/C7H12ClNO2/c1-4-11-7(10)6(8)9-5(2)3/h5H,4H2,1-3H3

InChIKey

WICMAXAWPBUEJN-UHFFFAOYSA-N

Compound name

ethyl 2-chloro-2-propan-2-yliminoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.05565 Da
Monoisotopic Mass: 2.3
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]+	178.062926	136.8
[M+Na]+	200.044868	144.0
[M-H]-	176.048374	138.6
[M+NH4]+	195.089473	158.3
[M+K]+	216.018808	143.3
[M+H-H2O]+	160.052910	132.7
[M+HCOO]-	222.053851	156.3
[M+CH3COO]-	236.069501	184.8
[M+Na-2H]-	198.030316	140.0
[M]+	177.05510142	140.9
[M]-	177.05619858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.