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 155.0
[M+Na]+ 265.06173 160.6
[M-H]- 241.06523 160.0
[M+NH4]+ 260.10633 174.1
[M+K]+ 281.03567 155.5
[M+H-H2O]+ 225.06977 152.9
[M+HCOO]- 287.07071 176.3
[M+CH3COO]- 301.08636 190.0
[M+Na-2H]- 263.04718 156.4
[M]+ 242.07196 157.1
[M]- 242.07306 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.