CID 12748

4-methylthiazole

Structural Information

Molecular Formula
C4H5NS
SMILES
CC1=CSC=N1
InChI
InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3
InChIKey
QMHIMXFNBOYPND-UHFFFAOYSA-N
Compound name
4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

18
References

8612
Patents

99.01427 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.02155 116.1
[M+Na]+ 122.00349 128.3
[M+NH4]+ 117.04809 126.4
[M+K]+ 137.97743 121.7
[M-H]- 98.006994 118.2
[M+Na-2H]- 119.98894 122.6
[M]+ 99.013721 118.9
[M]- 99.014819 118.9
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