CID 11971488

Brn 5558954

Structural Information

Molecular Formula
C10H12N4O2
SMILES
CN(C)CN1C=NC2=C1C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H12N4O2/c1-12(2)7-13-6-11-9-4-3-8(14(15)16)5-10(9)13/h3-6H,7H2,1-2H3
InChIKey
DMYOBTOLUPEWRR-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(6-nitrobenzimidazol-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.09602 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10330 143.4
[M+Na]+ 243.08524 156.7
[M+NH4]+ 238.12984 151.3
[M+K]+ 259.05918 155.4
[M-H]- 219.08874 146.6
[M+Na-2H]- 241.07069 149.9
[M]+ 220.09547 146.0
[M]- 220.09657 146.0
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

No patent data available for this compound.