CID 108501

2,4-dimethyl-3-thiazoline

Structural Information

Molecular Formula
C5H9NS
SMILES
CC1N=C(CS1)C
InChI
InChI=1S/C5H9NS/c1-4-3-7-5(2)6-4/h5H,3H2,1-2H3
InChIKey
PLOCKLWJINZHTI-UHFFFAOYSA-N
Compound name
2,4-dimethyl-2,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

21
Patents

115.04557 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.052846 120.2
[M+Na]+ 138.034788 129.8
[M-H]- 114.038294 123.3
[M+NH4]+ 133.079393 144.5
[M+K]+ 154.008728 128.8
[M+H-H2O]+ 98.042830 115.1
[M+HCOO]- 160.043771 138.9
[M+CH3COO]- 174.059421 167.5
[M+Na-2H]- 136.020236 122.8
[M]+ 115.04502142 121.3
[M]- 115.04611858 121.3
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