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

10
Patents

143.04048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.047756 127.4
[M+Na]+ 166.029698 136.1
[M-H]- 142.033204 128.8
[M+NH4]+ 161.074303 149.4
[M+K]+ 182.003638 134.0
[M+H-H2O]+ 126.037740 121.8
[M+HCOO]- 188.038681 145.9
[M+CH3COO]- 202.054331 168.3
[M+Na-2H]- 164.015146 130.7
[M]+ 143.03993142 129.3
[M]- 143.04102858 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