CID 3078774

3-thiophenamine, n-hexyl-2-nitro-

Structural Information

Molecular Formula
C10H16N2O2S
SMILES
CCCCCCNC1=C(SC=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H16N2O2S/c1-2-3-4-5-7-11-9-6-8-15-10(9)12(13)14/h6,8,11H,2-5,7H2,1H3
InChIKey
YPIFAZUBVSQCHJ-UHFFFAOYSA-N
Compound name
N-hexyl-2-nitrothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.09325 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.100526 151.0
[M+Na]+ 251.082468 156.7
[M-H]- 227.085974 154.5
[M+NH4]+ 246.127073 170.3
[M+K]+ 267.056408 149.8
[M+H-H2O]+ 211.090510 149.1
[M+HCOO]- 273.091451 172.5
[M+CH3COO]- 287.107101 185.5
[M+Na-2H]- 249.067916 154.1
[M]+ 228.09270142 152.0
[M]- 228.09379858 152.0
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.