CID 231553

1,3-dimethyl-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C9H10N2O
SMILES
CN1C2=CC=CC=C2N(C1=O)C
InChI
InChI=1S/C9H10N2O/c1-10-7-5-3-4-6-8(7)11(2)9(10)12/h3-6H,1-2H3
InChIKey
NOJXCBIUEXCLMZ-UHFFFAOYSA-N
Compound name
1,3-dimethylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

404
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 129.7
[M+Na]+ 185.068538 142.7
[M-H]- 161.072044 133.1
[M+NH4]+ 180.113143 151.7
[M+K]+ 201.042478 139.6
[M+H-H2O]+ 145.076580 123.4
[M+HCOO]- 207.077521 154.2
[M+CH3COO]- 221.093171 178.5
[M+Na-2H]- 183.053986 137.3
[M]+ 162.07877142 133.6
[M]- 162.07986858 133.6
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