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

89
Patents

141.02484 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.032116 127.5
[M+Na]+ 164.014058 135.6
[M-H]- 140.017564 131.1
[M+NH4]+ 159.058663 150.7
[M+K]+ 179.987998 133.6
[M+H-H2O]+ 124.022100 122.1
[M+HCOO]- 186.023041 148.1
[M+CH3COO]- 200.038691 172.3
[M+Na-2H]- 161.999506 129.6
[M]+ 141.02429142 127.6
[M]- 141.02538858 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