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]+ 242.095776 153.2
[M+Na]+ 264.077718 158.1
[M-H]- 240.081224 158.6
[M+NH4]+ 259.122323 172.0
[M+K]+ 280.051658 151.7
[M+H-H2O]+ 224.085760 150.5
[M+HCOO]- 286.086701 173.2
[M+CH3COO]- 300.102351 184.7
[M+Na-2H]- 262.063166 155.2
[M]+ 241.08795142 150.4
[M]- 241.08904858 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.