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 157.8
[M+Na]+ 264.09548 163.6
[M-H]- 240.09898 160.2
[M+NH4]+ 259.14008 173.8
[M+K]+ 280.06942 153.9
[M+H-H2O]+ 224.10352 159.8
[M+HCOO]- 286.10446 182.7
[M+CH3COO]- 300.12011 183.4
[M+Na-2H]- 262.08093 164.3
[M]+ 241.10571 156.8
[M]- 241.10681 156.8
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

No patent data available for this compound.