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 127.4
[M+Na]+ 166.02970 136.1
[M-H]- 142.03320 128.8
[M+NH4]+ 161.07430 149.4
[M+K]+ 182.00364 134.0
[M+H-H2O]+ 126.03774 121.8
[M+HCOO]- 188.03868 145.9
[M+CH3COO]- 202.05433 168.3
[M+Na-2H]- 164.01515 130.7
[M]+ 143.03993 129.3
[M]- 143.04103 129.3
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