CID 45791210

1185320-29-9

Structural Information

Molecular Formula
C7H12N2S2
SMILES
CSCC1=NC(=CS1)CCN
InChI
InChI=1S/C7H12N2S2/c1-10-5-7-9-6(2-3-8)4-11-7/h4H,2-3,5,8H2,1H3
InChIKey
ZWYSUROLPSKBEZ-UHFFFAOYSA-N
Compound name
2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.04419 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05147 136.2
[M+Na]+ 211.03341 145.3
[M-H]- 187.03691 138.3
[M+NH4]+ 206.07801 157.1
[M+K]+ 227.00735 141.2
[M+H-H2O]+ 171.04145 130.2
[M+HCOO]- 233.04239 150.1
[M+CH3COO]- 247.05804 182.1
[M+Na-2H]- 209.01886 135.9
[M]+ 188.04364 138.4
[M]- 188.04474 138.4
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

No patent data available for this compound.