CID 604525

175137-56-1

Structural Information

Molecular Formula

C₇H₁₁BrN₄O

SMILES

CC1=C(C(=NN1CC(=O)NN)C)Br

InChI

InChI=1S/C7H11BrN4O/c1-4-7(8)5(2)12(11-4)3-6(13)10-9/h3,9H2,1-2H3,(H,10,13)

InChIKey

CIJCDTVASLBRFQ-UHFFFAOYSA-N

Compound name

2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3
Patents: 246.01163 Da
Monoisotopic Mass: 0.4
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]+	247.01891	144.9
[M+Na]+	269.00085	157.0
[M-H]-	245.00435	148.9
[M+NH4]+	264.04545	164.7
[M+K]+	284.97479	145.8
[M+H-H2O]+	229.00889	142.7
[M+HCOO]-	291.00983	166.4
[M+CH3COO]-	305.02548	194.5
[M+Na-2H]-	266.98630	149.2
[M]+	246.01108	162.7
[M]-	246.01218	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe