CID 138985416

2-ethynyl-4,5-dimethylthiazole

Structural Information

Molecular Formula
C7H7NS
SMILES
CC1=C(SC(=N1)C#C)C
InChI
InChI=1S/C7H7NS/c1-4-7-8-5(2)6(3)9-7/h1H,2-3H3
InChIKey
WEPSKGPNYYRUAH-UHFFFAOYSA-N
Compound name
2-ethynyl-4,5-dimethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

137.02992 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.03720 128.0
[M+Na]+ 160.01914 141.0
[M-H]- 136.02264 130.5
[M+NH4]+ 155.06374 149.2
[M+K]+ 175.99308 138.0
[M+H-H2O]+ 120.02718 116.8
[M+HCOO]- 182.02812 142.0
[M+CH3COO]- 196.04377 181.7
[M+Na-2H]- 158.00459 129.4
[M]+ 137.02937 125.4
[M]- 137.03047 125.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe