CID 2777397

27006-76-4

Structural Information

Molecular Formula

C₆H₇ClN₂O

SMILES

CC1=NN(C(=C1C=O)Cl)C

InChI

InChI=1S/C6H7ClN2O/c1-4-5(3-10)6(7)9(2)8-4/h3H,1-2H3

InChIKey

SZRSMNYUEXXEBL-UHFFFAOYSA-N

Compound name

5-chloro-1,3-dimethylpyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 281
Patents: 158.02469 Da
Monoisotopic Mass: 1.1
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]+	159.03197	128.6
[M+Na]+	181.01391	142.2
[M+NH4]+	176.05851	136.7
[M+K]+	196.98785	137.7
[M-H]-	157.01741	128.9
[M+Na-2H]-	178.99936	134.2
[M]+	158.02414	130.8
[M]-	158.02524	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe