CID 672215

70996-65-5

Structural Information

Molecular Formula
C6H7NOS
SMILES
C1=CSC(=C1)C(=O)CN
InChI
InChI=1S/C6H7NOS/c7-4-5(8)6-2-1-3-9-6/h1-3H,4,7H2
InChIKey
CDRVJDMCHHVZIM-UHFFFAOYSA-N
Compound name
2-amino-1-thiophen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

141.02484 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.03212 127.5
[M+Na]+ 164.01406 135.6
[M-H]- 140.01756 131.1
[M+NH4]+ 159.05866 150.7
[M+K]+ 179.98800 133.6
[M+H-H2O]+ 124.02210 122.1
[M+HCOO]- 186.02304 148.1
[M+CH3COO]- 200.03869 172.3
[M+Na-2H]- 161.99951 129.6
[M]+ 141.02429 127.6
[M]- 141.02539 127.6
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