CID 2776319

54986-94-6

Structural Information

Molecular Formula
C8H7NOS2
SMILES
C1=CSC(=C1)C2=NC(=CS2)CO
InChI
InChI=1S/C8H7NOS2/c10-4-6-5-12-8(9-6)7-2-1-3-11-7/h1-3,5,10H,4H2
InChIKey
TZBZCRGHSMCQSQ-UHFFFAOYSA-N
Compound name
(2-thiophen-2-yl-1,3-thiazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

196.9969 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.00418 137.7
[M+Na]+ 219.98612 150.1
[M-H]- 195.98962 143.7
[M+NH4]+ 215.03072 160.2
[M+K]+ 235.96006 145.9
[M+H-H2O]+ 179.99416 133.0
[M+HCOO]- 241.99510 154.3
[M+CH3COO]- 256.01075 152.4
[M+Na-2H]- 217.97157 137.9
[M]+ 196.99635 142.1
[M]- 196.99745 142.1
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