CID 12323351

31857-79-1

Structural Information

Molecular Formula
C4H6N2S
SMILES
CC1=CC(=NS1)N
InChI
InChI=1S/C4H6N2S/c1-3-2-4(5)6-7-3/h2H,1H3,(H2,5,6)
InChIKey
BEIBQYMQSIDAIS-UHFFFAOYSA-N
Compound name
5-methyl-1,2-thiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

114.02517 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03245 118.2
[M+Na]+ 137.01439 128.3
[M-H]- 113.01789 121.1
[M+NH4]+ 132.05899 141.8
[M+K]+ 152.98833 126.5
[M+H-H2O]+ 97.022430 112.7
[M+HCOO]- 159.02337 138.9
[M+CH3COO]- 173.03902 168.1
[M+Na-2H]- 134.99984 121.7
[M]+ 114.02462 118.4
[M]- 114.02572 118.4
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

patents stripe