CID 43007

Brn 0917691

Structural Information

Molecular Formula
C9H10N4O2
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])N(C=N2)CCN
InChI
InChI=1S/C9H10N4O2/c10-3-4-12-6-11-8-2-1-7(13(14)15)5-9(8)12/h1-2,5-6H,3-4,10H2
InChIKey
WRSQDNGQTXZUBF-UHFFFAOYSA-N
Compound name
2-(6-nitrobenzimidazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.08037 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08765 139.4
[M+Na]+ 229.06959 148.5
[M-H]- 205.07309 141.8
[M+NH4]+ 224.11419 157.4
[M+K]+ 245.04353 141.4
[M+H-H2O]+ 189.07763 136.5
[M+HCOO]- 251.07857 165.0
[M+CH3COO]- 265.09422 181.5
[M+Na-2H]- 227.05504 149.0
[M]+ 206.07982 138.9
[M]- 206.08092 138.9
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.