CID 88247051

4-ethynyl-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C5H4N2S
SMILES
C#CC1=CSC(=N1)N
InChI
InChI=1S/C5H4N2S/c1-2-4-3-8-5(6)7-4/h1,3H,(H2,6,7)
InChIKey
PCRSUVABZDKOLW-UHFFFAOYSA-N
Compound name
4-ethynyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

124.00952 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.016796 126.5
[M+Na]+ 146.998738 138.4
[M-H]- 123.002244 128.1
[M+NH4]+ 142.043343 147.0
[M+K]+ 162.972678 135.5
[M+H-H2O]+ 107.006780 114.6
[M+HCOO]- 169.007721 141.1
[M+CH3COO]- 183.023371 178.8
[M+Na-2H]- 144.984186 128.5
[M]+ 124.00897142 121.1
[M]- 124.01006858 121.1
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