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]+ 229.10053 151.0
[M+Na]+ 251.08247 156.7
[M-H]- 227.08597 154.5
[M+NH4]+ 246.12707 170.3
[M+K]+ 267.05641 149.8
[M+H-H2O]+ 211.09051 149.1
[M+HCOO]- 273.09145 172.5
[M+CH3COO]- 287.10710 185.5
[M+Na-2H]- 249.06792 154.1
[M]+ 228.09270 152.0
[M]- 228.09380 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.