CID 352271

67014-36-2

Structural Information

Molecular Formula
C8H9N3O
SMILES
CC1=CC2=C(C=C1N)NC(=O)N2
InChI
InChI=1S/C8H9N3O/c1-4-2-6-7(3-5(4)9)11-8(12)10-6/h2-3H,9H2,1H3,(H2,10,11,12)
InChIKey
ZCXIPVIGYBHUTQ-UHFFFAOYSA-N
Compound name
5-amino-6-methyl-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

413
Patents

163.07455 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 131.1
[M+Na]+ 186.063768 142.8
[M-H]- 162.067274 131.4
[M+NH4]+ 181.108373 150.9
[M+K]+ 202.037708 137.7
[M+H-H2O]+ 146.071810 125.1
[M+HCOO]- 208.072751 153.3
[M+CH3COO]- 222.088401 144.8
[M+Na-2H]- 184.049216 137.8
[M]+ 163.07400142 129.3
[M]- 163.07509858 129.3
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