CID 117675

25948-11-2

Structural Information

Molecular Formula
C8H11N3O2
SMILES
CCCNC1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H11N3O2/c1-2-5-9-8-4-3-7(6-10-8)11(12)13/h3-4,6H,2,5H2,1H3,(H,9,10)
InChIKey
KZWODZHPEMBNTR-UHFFFAOYSA-N
Compound name
5-nitro-N-propylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

181.08513 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 135.8
[M+Na]+ 204.07435 142.5
[M-H]- 180.07785 138.3
[M+NH4]+ 199.11895 153.4
[M+K]+ 220.04829 136.9
[M+H-H2O]+ 164.08239 133.4
[M+HCOO]- 226.08333 161.7
[M+CH3COO]- 240.09898 178.1
[M+Na-2H]- 202.05980 145.3
[M]+ 181.08458 134.3
[M]- 181.08568 134.3
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