CID 77129

2-methylthiazole

Structural Information

Molecular Formula
C4H5NS
SMILES
CC1=NC=CS1
InChI
InChI=1S/C4H5NS/c1-4-5-2-3-6-4/h2-3H,1H3
InChIKey
VZWOXDYRBDIHMA-UHFFFAOYSA-N
Compound name
2-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

216
References

19758
Patents

99.01427 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.02155 114.3
[M+Na]+ 122.00349 124.5
[M-H]- 98.006994 117.5
[M+NH4]+ 117.04809 138.9
[M+K]+ 137.97743 123.5
[M+H-H2O]+ 82.011530 109.1
[M+HCOO]- 144.01247 134.8
[M+CH3COO]- 158.02812 163.1
[M+Na-2H]- 119.98894 119.0
[M]+ 99.013721 116.0
[M]- 99.014819 116.0
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