CID 21361023

1217032-15-9

Structural Information

Molecular Formula
C9H10N2O
SMILES
CC1=C(C2=C(C=C1)NC(=O)N2)C
InChI
InChI=1S/C9H10N2O/c1-5-3-4-7-8(6(5)2)11-9(12)10-7/h3-4H,1-2H3,(H2,10,11,12)
InChIKey
MNAAVHWPNAIDDG-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

162.07932 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 131.4
[M+Na]+ 185.06854 143.6
[M-H]- 161.07204 132.0
[M+NH4]+ 180.11314 151.9
[M+K]+ 201.04248 138.6
[M+H-H2O]+ 145.07658 125.6
[M+HCOO]- 207.07752 152.9
[M+CH3COO]- 221.09317 145.5
[M+Na-2H]- 183.05399 138.0
[M]+ 162.07877 131.6
[M]- 162.07987 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe