CID 526661

4-methyl-3-thiazoline

Structural Information

Molecular Formula
C4H7NS
SMILES
CC1=NCSC1
InChI
InChI=1S/C4H7NS/c1-4-2-6-3-5-4/h2-3H2,1H3
InChIKey
DTYOLYPNFSSEGO-UHFFFAOYSA-N
Compound name
4-methyl-2,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

98
Patents

101.02992 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.037196 116.3
[M+Na]+ 124.019138 125.4
[M-H]- 100.022644 119.2
[M+NH4]+ 119.063743 140.8
[M+K]+ 139.993078 124.7
[M+H-H2O]+ 84.027180 111.1
[M+HCOO]- 146.028121 135.3
[M+CH3COO]- 160.043771 163.5
[M+Na-2H]- 122.004586 120.0
[M]+ 101.02937142 116.6
[M]- 101.03046858 116.6
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