CID 13348970

1958100-55-4

Structural Information

Molecular Formula
C4H6N2S
SMILES
CC1=NSC=C1N
InChI
InChI=1S/C4H6N2S/c1-3-4(5)2-7-6-3/h2H,5H2,1H3
InChIKey
OENNKQQMHQUBLY-UHFFFAOYSA-N
Compound name
3-methyl-1,2-thiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

114.02517 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03245 119.5
[M+Na]+ 137.01439 130.4
[M+NH4]+ 132.05899 129.0
[M+K]+ 152.98833 124.8
[M-H]- 113.01789 121.7
[M+Na-2H]- 134.99984 125.1
[M]+ 114.02462 122.0
[M]- 114.02572 122.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe