CID 2777642

443762-03-6

Structural Information

Molecular Formula
C8H9NO3S
SMILES
CC1=CSC(=C1NC=O)C(=O)OC
InChI
InChI=1S/C8H9NO3S/c1-5-3-13-7(8(11)12-2)6(5)9-4-10/h3-4H,1-2H3,(H,9,10)
InChIKey
PWSUQEJRFKOGJV-UHFFFAOYSA-N
Compound name
methyl 3-formamido-4-methylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

199.03032 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03760 140.7
[M+Na]+ 222.01954 149.7
[M-H]- 198.02304 145.2
[M+NH4]+ 217.06414 162.3
[M+K]+ 237.99348 147.9
[M+H-H2O]+ 182.02758 135.3
[M+HCOO]- 244.02852 161.9
[M+CH3COO]- 258.04417 183.8
[M+Na-2H]- 220.00499 141.8
[M]+ 199.02977 145.4
[M]- 199.03087 145.4
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