CID 163212223

3-nitro-4-(thiomorpholin-4-yl)aniline

Structural Information

Molecular Formula
C10H13N3O2S
SMILES
C1CSCCN1C2=C(C=C(C=C2)N)[N+](=O)[O-]
InChI
InChI=1S/C10H13N3O2S/c11-8-1-2-9(10(7-8)13(14)15)12-3-5-16-6-4-12/h1-2,7H,3-6,11H2
InChIKey
CHRMFYCWCXLLBI-UHFFFAOYSA-N
Compound name
3-nitro-4-thiomorpholin-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.07285 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.080126 147.7
[M+Na]+ 262.062068 152.3
[M-H]- 238.065574 152.0
[M+NH4]+ 257.106673 162.6
[M+K]+ 278.036008 144.5
[M+H-H2O]+ 222.070110 144.4
[M+HCOO]- 284.071051 164.0
[M+CH3COO]- 298.086701 185.1
[M+Na-2H]- 260.047516 151.7
[M]+ 239.07230142 141.2
[M]- 239.07339858 141.2
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