CID 3103777

4-(2,4,6-trinitrophenyl)morpholine

Structural Information

Molecular Formula
C10H10N4O7
SMILES
C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H10N4O7/c15-12(16)7-5-8(13(17)18)10(9(6-7)14(19)20)11-1-3-21-4-2-11/h5-6H,1-4H2
InChIKey
CPZXPDQTMDRNBY-UHFFFAOYSA-N
Compound name
4-(2,4,6-trinitrophenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.05496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06224 166.6
[M+Na]+ 321.04418 168.6
[M-H]- 297.04768 171.6
[M+NH4]+ 316.08878 174.6
[M+K]+ 337.01812 156.2
[M+H-H2O]+ 281.05222 170.3
[M+HCOO]- 343.05316 186.4
[M+CH3COO]- 357.06881 187.7
[M+Na-2H]- 319.02963 176.4
[M]+ 298.05441 159.1
[M]- 298.05551 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.