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 150.5
[M+Na]+ 265.02535 155.5
[M-H]- 241.02885 156.3
[M+NH4]+ 260.06995 166.1
[M+K]+ 280.99929 150.8
[M+H-H2O]+ 225.03339 148.2
[M+HCOO]- 287.03433 166.5
[M+CH3COO]- 301.04998 180.3
[M+Na-2H]- 263.01080 153.6
[M]+ 242.03558 147.7
[M]- 242.03668 147.7
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