CID 17957431

3-(1,3-thiazol-5-yl)propan-1-ol

Structural Information

Molecular Formula
C6H9NOS
SMILES
C1=C(SC=N1)CCCO
InChI
InChI=1S/C6H9NOS/c8-3-1-2-6-4-7-5-9-6/h4-5,8H,1-3H2
InChIKey
IBDYHAAVCMWJNQ-UHFFFAOYSA-N
Compound name
3-(1,3-thiazol-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

143.04048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.04776 128.4
[M+Na]+ 166.02970 139.1
[M+NH4]+ 161.07430 137.4
[M+K]+ 182.00364 132.9
[M-H]- 142.03320 129.3
[M+Na-2H]- 164.01515 133.4
[M]+ 143.03993 130.5
[M]- 143.04103 130.5
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