CID 3078775

Acetamide, n-butyl-n-(2-nitro-3-thienyl)-

Structural Information

Molecular Formula
C10H14N2O3S
SMILES
CCCCN(C1=C(SC=C1)[N+](=O)[O-])C(=O)C
InChI
InChI=1S/C10H14N2O3S/c1-3-4-6-11(8(2)13)9-5-7-16-10(9)12(14)15/h5,7H,3-4,6H2,1-2H3
InChIKey
WRLIXCPYCQJUQP-UHFFFAOYSA-N
Compound name
N-butyl-N-(2-nitrothiophen-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07251 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07979 152.5
[M+Na]+ 265.06173 161.4
[M+NH4]+ 260.10633 159.9
[M+K]+ 281.03567 159.2
[M-H]- 241.06523 154.9
[M+Na-2H]- 263.04718 155.9
[M]+ 242.07196 154.5
[M]- 242.07306 154.5
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.