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]+ 272.106336 158.5
[M+Na]+ 294.088278 161.8
[M-H]- 270.091784 163.7
[M+NH4]+ 289.132883 172.8
[M+K]+ 310.062218 156.0
[M+H-H2O]+ 254.096320 155.2
[M+HCOO]- 316.097261 175.4
[M+CH3COO]- 330.112911 189.9
[M+Na-2H]- 292.073726 162.4
[M]+ 271.09851142 155.6
[M]- 271.09960858 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.