CID 10313318

1621363-56-1

Structural Information

Molecular Formula
C6H8N2S2
SMILES
CSC1=CC=C(S1)C(=N)N
InChI
InChI=1S/C6H8N2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H3,7,8)
InChIKey
AXSQTCBARFBKPH-UHFFFAOYSA-N
Compound name
5-methylsulfanylthiophene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

45
Patents

172.0129 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.020176 132.8
[M+Na]+ 195.002118 141.0
[M-H]- 171.005624 136.2
[M+NH4]+ 190.046723 154.7
[M+K]+ 210.976058 136.7
[M+H-H2O]+ 155.010160 127.1
[M+HCOO]- 217.011101 147.9
[M+CH3COO]- 231.026751 181.2
[M+Na-2H]- 192.987566 132.6
[M]+ 172.01235142 131.9
[M]- 172.01344858 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe