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
3
Annotation Hits

6
References

1191
Patents

128.04082 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.048096 122.4
[M+Na]+ 151.030038 133.0
[M-H]- 127.033544 125.5
[M+NH4]+ 146.074643 145.8
[M+K]+ 167.003978 130.9
[M+H-H2O]+ 111.038080 117.1
[M+HCOO]- 173.039021 142.8
[M+CH3COO]- 187.054671 172.2
[M+Na-2H]- 149.015486 124.8
[M]+ 128.04027142 123.4
[M]- 128.04136858 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