CID 88923

21472-26-4

Structural Information

Molecular Formula

C₆H₉N₃O₂

SMILES

CCCC1=CN=C(N1)[N+](=O)[O-]

InChI

InChI=1S/C6H9N3O2/c1-2-3-5-4-7-6(8-5)9(10)11/h4H,2-3H2,1H3,(H,7,8)

InChIKey

PKWOWWVMUZLZAC-UHFFFAOYSA-N

Compound name

2-nitro-5-propyl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 155.06947 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	156.07675	130.2
[M+Na]+	178.05869	138.1
[M-H]-	154.06219	130.3
[M+NH4]+	173.10329	149.0
[M+K]+	194.03263	132.4
[M+H-H2O]+	138.06673	128.1
[M+HCOO]-	200.06767	153.6
[M+CH3COO]-	214.08332	167.4
[M+Na-2H]-	176.04414	137.9
[M]+	155.06892	127.9
[M]-	155.07002	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe