CID 200933

Pyrrole, 2,4-dinitro-1-hexyl-

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CCCCCCN1C=C(C=C1[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H15N3O4/c1-2-3-4-5-6-11-8-9(12(14)15)7-10(11)13(16)17/h7-8H,2-6H2,1H3
InChIKey
CQUAHNDPRCQRNM-UHFFFAOYSA-N
Compound name
1-hexyl-2,4-dinitropyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.10626 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 158.9
[M+Na]+ 264.09548 165.1
[M+NH4]+ 259.14008 167.4
[M+K]+ 280.06942 174.1
[M-H]- 240.09898 154.3
[M+Na-2H]- 262.08093 159.5
[M]+ 241.10571 160.4
[M]- 241.10681 160.4
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.