CID 62726510

1082065-99-3

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1CC1CN2C=C(C=N2)C=O

InChI

InChI=1S/C8H10N2O/c11-6-8-3-9-10(5-8)4-7-1-2-7/h3,5-7H,1-2,4H2

InChIKey

BUTTVUBNXIIXRH-UHFFFAOYSA-N

Compound name

1-(cyclopropylmethyl)pyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 479
Patents: 150.07932 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]+	151.08660	135.7
[M+Na]+	173.06854	146.6
[M-H]-	149.07204	140.7
[M+NH4]+	168.11314	151.2
[M+K]+	189.04248	143.2
[M+H-H2O]+	133.07658	128.0
[M+HCOO]-	195.07752	159.3
[M+CH3COO]-	209.09317	178.2
[M+Na-2H]-	171.05399	141.0
[M]+	150.07877	138.9
[M]-	150.07987	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe