CID 62111500

956723-08-3

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CC(C)C1=CC(=NN1)C=O

InChI

InChI=1S/C7H10N2O/c1-5(2)7-3-6(4-10)8-9-7/h3-5H,1-2H3,(H,8,9)

InChIKey

SSTDIGBIYSTOET-UHFFFAOYSA-N

Compound name

5-propan-2-yl-1H-pyrazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 138.07932 Da
Monoisotopic Mass: 1.2
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]+	139.08660	128.3
[M+Na]+	161.06854	137.1
[M-H]-	137.07204	128.3
[M+NH4]+	156.11314	148.7
[M+K]+	177.04248	135.3
[M+H-H2O]+	121.07658	121.9
[M+HCOO]-	183.07752	149.6
[M+CH3COO]-	197.09317	171.2
[M+Na-2H]-	159.05399	132.7
[M]+	138.07877	127.8
[M]-	138.07987	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe