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]+ 243.079786 155.0
[M+Na]+ 265.061728 160.6
[M-H]- 241.065234 160.0
[M+NH4]+ 260.106333 174.1
[M+K]+ 281.035668 155.5
[M+H-H2O]+ 225.069770 152.9
[M+HCOO]- 287.070711 176.3
[M+CH3COO]- 301.086361 190.0
[M+Na-2H]- 263.047176 156.4
[M]+ 242.07196142 157.1
[M]- 242.07305858 157.1
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.