CID 207983

Morpholine, 4-((5-nitro-2-thienyl)carbonyl)-

Structural Information

Molecular Formula
C9H10N2O4S
SMILES
C1COCCN1C(=O)C2=CC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O4S/c12-9(10-3-5-15-6-4-10)7-1-2-8(16-7)11(13)14/h1-2H,3-6H2
InChIKey
RKBSEAKDMUAGLJ-UHFFFAOYSA-N
Compound name
morpholin-4-yl-(5-nitrothiophen-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

242.03613 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04341 147.4
[M+Na]+ 265.02535 157.6
[M+NH4]+ 260.06995 154.9
[M+K]+ 280.99929 156.1
[M-H]- 241.02885 151.6
[M+Na-2H]- 263.01080 151.5
[M]+ 242.03558 150.1
[M]- 242.03668 150.1
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

patents stripe