CID 3078804

122777-90-6

Structural Information

Molecular Formula
C10H15N3O3S
SMILES
C1COCCN1CCNC2=C(SC=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H15N3O3S/c14-13(15)10-9(1-8-17-10)11-2-3-12-4-6-16-7-5-12/h1,8,11H,2-7H2
InChIKey
NLVRPRRTWUOBLE-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-2-nitrothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0834 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09068 152.3
[M+Na]+ 280.07262 161.8
[M+NH4]+ 275.11722 160.1
[M+K]+ 296.04656 159.3
[M-H]- 256.07612 157.7
[M+Na-2H]- 278.05807 156.8
[M]+ 257.08285 155.2
[M]- 257.08395 155.2
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

No patent data available for this compound.