CID 2763216

38585-74-9

Structural Information

Molecular Formula
C4H5NOS
SMILES
C1=C(SC=N1)CO
InChI
InChI=1S/C4H5NOS/c6-2-4-1-5-3-7-4/h1,3,6H,2H2
InChIKey
WKBQQWDVVHGWDB-UHFFFAOYSA-N
Compound name
1,3-thiazol-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1367
Patents

115.009186 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.01646 118.4
[M+Na]+ 137.99840 128.1
[M-H]- 114.00191 120.2
[M+NH4]+ 133.04301 141.6
[M+K]+ 153.97234 126.4
[M+H-H2O]+ 98.006446 113.3
[M+HCOO]- 160.00739 137.6
[M+CH3COO]- 174.02304 162.3
[M+Na-2H]- 135.98385 122.7
[M]+ 115.00864 119.6
[M]- 115.00973 119.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe