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]+ 240.08013 147.7
[M+Na]+ 262.06207 152.3
[M-H]- 238.06557 152.0
[M+NH4]+ 257.10667 162.6
[M+K]+ 278.03601 144.5
[M+H-H2O]+ 222.07011 144.4
[M+HCOO]- 284.07105 164.0
[M+CH3COO]- 298.08670 185.1
[M+Na-2H]- 260.04752 151.7
[M]+ 239.07230 141.2
[M]- 239.07340 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