CID 3078806

4-morpholinepropanamine, n-(2-nitro-3-thienyl)-, monohydrochloride

Structural Information

Molecular Formula
C11H17N3O3S
SMILES
C1COCCN1CCCNC2=C(SC=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H17N3O3S/c15-14(16)11-10(2-9-18-11)12-3-1-4-13-5-7-17-8-6-13/h2,9,12H,1,3-8H2
InChIKey
ZTIWLFXRVIZNOA-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.09906 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10634 158.5
[M+Na]+ 294.08828 161.8
[M-H]- 270.09178 163.7
[M+NH4]+ 289.13288 172.8
[M+K]+ 310.06222 156.0
[M+H-H2O]+ 254.09632 155.2
[M+HCOO]- 316.09726 175.4
[M+CH3COO]- 330.11291 189.9
[M+Na-2H]- 292.07373 162.4
[M]+ 271.09851 155.6
[M]- 271.09961 155.6
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.