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]+ 125.01680 126.5
[M+Na]+ 146.99874 138.4
[M-H]- 123.00224 128.1
[M+NH4]+ 142.04334 147.0
[M+K]+ 162.97268 135.5
[M+H-H2O]+ 107.00678 114.6
[M+HCOO]- 169.00772 141.1
[M+CH3COO]- 183.02337 178.8
[M+Na-2H]- 144.98419 128.5
[M]+ 124.00897 121.1
[M]- 124.01007 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