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]+ 242.113536 157.8
[M+Na]+ 264.095478 163.6
[M-H]- 240.098984 160.2
[M+NH4]+ 259.140083 173.8
[M+K]+ 280.069418 153.9
[M+H-H2O]+ 224.103520 159.8
[M+HCOO]- 286.104461 182.7
[M+CH3COO]- 300.120111 183.4
[M+Na-2H]- 262.080926 164.3
[M]+ 241.10571142 156.8
[M]- 241.10680858 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.