CID 62510

4,5-dimethylthiazole

Structural Information

Molecular Formula
C5H7NS
SMILES
CC1=C(SC=N1)C
InChI
InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3
InChIKey
UWSONZCNXUSTKW-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

6
References

5003
Patents

113.02992 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.03720 118.2
[M+Na]+ 136.01914 128.9
[M-H]- 112.02264 121.7
[M+NH4]+ 131.06374 142.6
[M+K]+ 151.99308 127.6
[M+H-H2O]+ 96.027180 113.2
[M+HCOO]- 158.02812 138.3
[M+CH3COO]- 172.04377 167.2
[M+Na-2H]- 134.00459 121.8
[M]+ 113.02937 120.7
[M]- 113.03047 120.7
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