CID 100278

1,3-dihydro-1-(1-methylvinyl)-2h-benzimidazol-2-one

Structural Information

Molecular Formula
C10H10N2O
SMILES
CC(=C)N1C2=CC=CC=C2NC1=O
InChI
InChI=1S/C10H10N2O/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13/h3-6H,1H2,2H3,(H,11,13)
InChIKey
XFASJWLBXHWUMW-UHFFFAOYSA-N
Compound name
3-prop-1-en-2-yl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

299
Patents

174.07932 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 134.6
[M+Na]+ 197.06854 145.8
[M-H]- 173.07204 136.1
[M+NH4]+ 192.11314 154.8
[M+K]+ 213.04248 141.4
[M+H-H2O]+ 157.07658 128.2
[M+HCOO]- 219.07752 156.4
[M+CH3COO]- 233.09317 177.7
[M+Na-2H]- 195.05399 140.7
[M]+ 174.07877 135.2
[M]- 174.07987 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe