CID 605450

55241-49-1

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

CN1C2=C(C=C(C=C2)C=O)N(C1=O)C

InChI

InChI=1S/C10H10N2O2/c1-11-8-4-3-7(6-13)5-9(8)12(2)10(11)14/h3-6H,1-2H3

InChIKey

PFRNWHRHGONGPG-UHFFFAOYSA-N

Compound name

1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 190.07423 Da
Monoisotopic Mass: 0.9
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]+	191.08151	138.0
[M+Na]+	213.06345	152.9
[M+NH4]+	208.10805	145.8
[M+K]+	229.03739	148.2
[M-H]-	189.06695	138.9
[M+Na-2H]-	211.04890	144.0
[M]+	190.07368	140.3
[M]-	190.07478	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe