CID 74853

2033-30-9

Structural Information

Molecular Formula
C9H10N2O
SMILES
CC1=CC2=C(C=C1C)NC(=O)N2
InChI
InChI=1S/C9H10N2O/c1-5-3-7-8(4-6(5)2)11-9(12)10-7/h3-4H,1-2H3,(H2,10,11,12)
InChIKey
ORWJLFLEIZBRBR-UHFFFAOYSA-N
Compound name
5,6-dimethyl-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

162.07932 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 131.4
[M+Na]+ 185.068538 143.6
[M-H]- 161.072044 132.0
[M+NH4]+ 180.113143 151.9
[M+K]+ 201.042478 138.6
[M+H-H2O]+ 145.076580 125.6
[M+HCOO]- 207.077521 152.9
[M+CH3COO]- 221.093171 145.5
[M+Na-2H]- 183.053986 138.0
[M]+ 162.07877142 131.6
[M]- 162.07986858 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

literature stripe

Patent stripe

patents stripe