CID 223134

5400-75-9

Structural Information

Molecular Formula
C8H8N2O
SMILES
CC1=CC2=C(C=C1)NC(=O)N2
InChI
InChI=1S/C8H8N2O/c1-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)
InChIKey
CTCHXZUMFHNSHM-UHFFFAOYSA-N
Compound name
5-methyl-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

562
Patents

148.06366 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 127.3
[M+Na]+ 171.05288 141.1
[M+NH4]+ 166.09748 135.5
[M+K]+ 187.02682 136.7
[M-H]- 147.05638 127.7
[M+Na-2H]- 169.03833 133.6
[M]+ 148.06311 129.2
[M]- 148.06421 129.2
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