CID 73238

2-amino-4,5-dimethyl-1,3-thiazole

Structural Information

Molecular Formula
C5H8N2S
SMILES
CC1=C(SC(=N1)N)C
InChI
InChI=1S/C5H8N2S/c1-3-4(2)8-5(6)7-3/h1-2H3,(H2,6,7)
InChIKey
XMXLBDNVSIHRRA-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1147
Patents

128.04082 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.04810 122.4
[M+Na]+ 151.03004 133.0
[M-H]- 127.03354 125.5
[M+NH4]+ 146.07464 145.8
[M+K]+ 167.00398 130.9
[M+H-H2O]+ 111.03808 117.1
[M+HCOO]- 173.03902 142.8
[M+CH3COO]- 187.05467 172.2
[M+Na-2H]- 149.01549 124.8
[M]+ 128.04027 123.4
[M]- 128.04137 123.4
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