CID 45079394

211940-15-7

Structural Information

Molecular Formula
C8H7NS
SMILES
C#CC1=NC(=CS1)C2CC2
InChI
InChI=1S/C8H7NS/c1-2-8-9-7(5-10-8)6-3-4-6/h1,5-6H,3-4H2
InChIKey
AFCVVHDAKGXKJI-UHFFFAOYSA-N
Compound name
4-cyclopropyl-2-ethynyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.02992 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.03720 127.3
[M+Na]+ 172.01914 144.7
[M-H]- 148.02264 134.3
[M+NH4]+ 167.06374 144.8
[M+K]+ 187.99308 137.8
[M+H-H2O]+ 132.02718 117.5
[M+HCOO]- 194.02812 143.4
[M+CH3COO]- 208.04377 141.6
[M+Na-2H]- 170.00459 131.1
[M]+ 149.02937 127.4
[M]- 149.03047 127.4
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

No patent data available for this compound.