CID 28374324

1211449-80-7

Structural Information

Molecular Formula
C6H10N2S2
SMILES
CC1=CSC(=N1)SCCN
InChI
InChI=1S/C6H10N2S2/c1-5-4-10-6(8-5)9-3-2-7/h4H,2-3,7H2,1H3
InChIKey
FCUGWJFFEZQETO-UHFFFAOYSA-N
Compound name
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

174.02853 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.035806 132.0
[M+Na]+ 197.017748 141.6
[M-H]- 173.021254 134.3
[M+NH4]+ 192.062353 153.4
[M+K]+ 212.991688 137.7
[M+H-H2O]+ 157.025790 126.3
[M+HCOO]- 219.026731 146.3
[M+CH3COO]- 233.042381 179.1
[M+Na-2H]- 195.003196 132.2
[M]+ 174.02798142 133.9
[M]- 174.02907858 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