CID 5362563

2,4-dimethyl-5-vinylthiazole

Structural Information

Molecular Formula
C7H9NS
SMILES
CC1=C(SC(=N1)C)C=C
InChI
InChI=1S/C7H9NS/c1-4-7-5(2)8-6(3)9-7/h4H,1H2,2-3H3
InChIKey
MLBCDQHOBLVBQD-UHFFFAOYSA-N
Compound name
5-ethenyl-2,4-dimethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

63
Patents

139.04558 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05286 125.6
[M+Na]+ 162.03480 136.6
[M-H]- 138.03830 129.2
[M+NH4]+ 157.07940 149.2
[M+K]+ 178.00874 134.1
[M+H-H2O]+ 122.04284 120.6
[M+HCOO]- 184.04378 145.3
[M+CH3COO]- 198.05943 173.4
[M+Na-2H]- 160.02025 127.6
[M]+ 139.04503 128.5
[M]- 139.04613 128.5
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