CID 2735671

68282-49-5

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CCCCC1=NC=C(N1)C=O

InChI

InChI=1S/C8H12N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5-6H,2-4H2,1H3,(H,9,10)

InChIKey

PTHGVOCFAZSNNA-UHFFFAOYSA-N

Compound name

2-butyl-1H-imidazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 351
Patents: 152.09496 Da
Monoisotopic Mass: 1.6
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]+	153.10224	132.5
[M+Na]+	175.08418	141.1
[M-H]-	151.08768	132.1
[M+NH4]+	170.12878	152.3
[M+K]+	191.05812	138.6
[M+H-H2O]+	135.09222	125.8
[M+HCOO]-	197.09316	154.4
[M+CH3COO]-	211.10881	173.4
[M+Na-2H]-	173.06963	137.6
[M]+	152.09441	133.0
[M]-	152.09551	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe