CID 15567857

2-chloro-n-(cyanomethyl)acetamide

Structural Information

Molecular Formula

C₄H₅ClN₂O

SMILES

C(C#N)NC(=O)CCl

InChI

InChI=1S/C4H5ClN2O/c5-3-4(8)7-2-1-6/h2-3H2,(H,7,8)

InChIKey

BLGRCGIMBCJLMZ-UHFFFAOYSA-N

Compound name

2-chloro-N-(cyanomethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 132.00903 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]+	133.01631	123.5
[M+Na]+	154.99825	133.5
[M+NH4]+	150.04285	128.2
[M+K]+	170.97219	125.4
[M-H]-	131.00175	116.3
[M+Na-2H]-	152.98370	125.7
[M]+	132.00848	122.1
[M]-	132.00958	122.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe