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

0
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 145.7
[M+Na]+ 262.06207 157.5
[M+NH4]+ 257.10667 154.4
[M+K]+ 278.03601 152.4
[M-H]- 238.06557 151.2
[M+Na-2H]- 260.04752 152.6
[M]+ 239.07230 149.1
[M]- 239.07340 149.1
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

No patent data available for this compound.