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]+ 207.087646 139.4
[M+Na]+ 229.069588 148.5
[M-H]- 205.073094 141.8
[M+NH4]+ 224.114193 157.4
[M+K]+ 245.043528 141.4
[M+H-H2O]+ 189.077630 136.5
[M+HCOO]- 251.078571 165.0
[M+CH3COO]- 265.094221 181.5
[M+Na-2H]- 227.055036 149.0
[M]+ 206.07982142 138.9
[M]- 206.08091858 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.