CID 61653

2,4,5-trimethylthiazole

Structural Information

Molecular Formula
C6H9NS
SMILES
CC1=C(SC(=N1)C)C
InChI
InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3
InChIKey
BAMPVSWRQZNDQC-UHFFFAOYSA-N
Compound name
2,4,5-trimethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

8
References

2766
Patents

127.04557 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.052846 122.0
[M+Na]+ 150.034788 133.1
[M-H]- 126.038294 125.7
[M+NH4]+ 145.079393 146.2
[M+K]+ 166.008728 131.5
[M+H-H2O]+ 110.042830 117.1
[M+HCOO]- 172.043771 141.8
[M+CH3COO]- 186.059421 171.3
[M+Na-2H]- 148.020236 124.5
[M]+ 127.04502142 125.2
[M]- 127.04611858 125.2
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