CID 2795213

1,3-thiazol-2-ylmethanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1511
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 119.7
[M+Na]+ 137.99840 130.8
[M+NH4]+ 133.04301 129.0
[M+K]+ 153.97234 125.1
[M-H]- 114.00191 120.7
[M+Na-2H]- 135.98385 125.1
[M]+ 115.00864 121.9
[M]- 115.00973 121.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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