CID 770001

5-methyl-4-nitrothiophene-2-carboxamide

Structural Information

Molecular Formula
C6H6N2O3S
SMILES
CC1=C(C=C(S1)C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O3S/c1-3-4(8(10)11)2-5(12-3)6(7)9/h2H,1H3,(H2,7,9)
InChIKey
DFQLMQGFILOBCQ-UHFFFAOYSA-N
Compound name
5-methyl-4-nitrothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

186.00992 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01720 135.0
[M+Na]+ 208.99914 143.0
[M-H]- 185.00264 139.1
[M+NH4]+ 204.04374 155.7
[M+K]+ 224.97308 136.9
[M+H-H2O]+ 169.00718 134.1
[M+HCOO]- 231.00812 156.5
[M+CH3COO]- 245.02377 175.4
[M+Na-2H]- 206.98459 137.6
[M]+ 186.00937 133.9
[M]- 186.01047 133.9
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

patents stripe