CID 3078808

Pyrrolidineethanamine, n-(2-nitro-3-thienyl)-, monohydrochloride

Structural Information

Molecular Formula
C10H15N3O2S
SMILES
C1CCN(C1)CCNC2=C(SC=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H15N3O2S/c14-13(15)10-9(3-8-16-10)11-4-7-12-5-1-2-6-12/h3,8,11H,1-2,4-7H2
InChIKey
OMOVMGLPWQZGGD-UHFFFAOYSA-N
Compound name
2-nitro-N-(2-pyrrolidin-1-ylethyl)thiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0885 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09578 153.2
[M+Na]+ 264.07772 158.1
[M-H]- 240.08122 158.6
[M+NH4]+ 259.12232 172.0
[M+K]+ 280.05166 151.7
[M+H-H2O]+ 224.08576 150.5
[M+HCOO]- 286.08670 173.2
[M+CH3COO]- 300.10235 184.7
[M+Na-2H]- 262.06317 155.2
[M]+ 241.08795 150.4
[M]- 241.08905 150.4
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.