CID 3457574

2126178-74-1

Structural Information

Molecular Formula
C10H12N4O2
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CCCN
InChI
InChI=1S/C10H12N4O2/c11-5-1-2-10-12-8-4-3-7(14(15)16)6-9(8)13-10/h3-4,6H,1-2,5,11H2,(H,12,13)
InChIKey
RWHXWZWPKVTAGF-UHFFFAOYSA-N
Compound name
3-(6-nitro-1H-benzimidazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.09602 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.103296 143.7
[M+Na]+ 243.085238 151.9
[M-H]- 219.088744 144.6
[M+NH4]+ 238.129843 160.5
[M+K]+ 259.059178 143.7
[M+H-H2O]+ 203.093280 140.9
[M+HCOO]- 265.094221 167.5
[M+CH3COO]- 279.109871 181.8
[M+Na-2H]- 241.070686 152.5
[M]+ 220.09547142 141.8
[M]- 220.09656858 141.8
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