CID 14566225

83573-62-0

Structural Information

Molecular Formula
C8H7N3O3
SMILES
CC1=CC2=C(C=C1[N+](=O)[O-])NC(=O)N2
InChI
InChI=1S/C8H7N3O3/c1-4-2-5-6(10-8(12)9-5)3-7(4)11(13)14/h2-3H,1H3,(H2,9,10,12)
InChIKey
IPZGIHJVJJXQIK-UHFFFAOYSA-N
Compound name
5-methyl-6-nitro-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

193.04874 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.056016 134.4
[M+Na]+ 216.037958 145.1
[M-H]- 192.041464 135.3
[M+NH4]+ 211.082563 152.4
[M+K]+ 232.011898 136.8
[M+H-H2O]+ 176.046000 132.9
[M+HCOO]- 238.046941 157.3
[M+CH3COO]- 252.062591 171.3
[M+Na-2H]- 214.023406 143.6
[M]+ 193.04819142 132.8
[M]- 193.04928858 132.8
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