CID 207656

Propiophenone, 3-morpholino-2'-nitro-, monohydrochloride

Structural Information

Molecular Formula
C13H16N2O4
SMILES
C1COCCN1CCC(=O)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C13H16N2O4/c16-13(5-6-14-7-9-19-10-8-14)11-3-1-2-4-12(11)15(17)18/h1-4H,5-10H2
InChIKey
MKEJMUZBTUVRDO-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-1-(2-nitrophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

264.111 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11828 159.2
[M+Na]+ 287.10022 162.4
[M-H]- 263.10372 164.1
[M+NH4]+ 282.14482 171.4
[M+K]+ 303.07416 157.4
[M+H-H2O]+ 247.10826 155.1
[M+HCOO]- 309.10920 178.1
[M+CH3COO]- 323.12485 189.4
[M+Na-2H]- 285.08567 165.1
[M]+ 264.11045 155.4
[M]- 264.11155 155.4
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