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]+ 175.03581 132.0
[M+Na]+ 197.01775 141.6
[M-H]- 173.02125 134.3
[M+NH4]+ 192.06235 153.4
[M+K]+ 212.99169 137.7
[M+H-H2O]+ 157.02579 126.3
[M+HCOO]- 219.02673 146.3
[M+CH3COO]- 233.04238 179.1
[M+Na-2H]- 195.00320 132.2
[M]+ 174.02798 133.9
[M]- 174.02908 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