CID 559799

(1,2-thiazol-5-yl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

115.009186 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.016462 118.4
[M+Na]+ 137.998404 128.1
[M-H]- 114.001910 120.2
[M+NH4]+ 133.043009 141.6
[M+K]+ 153.972344 126.4
[M+H-H2O]+ 98.006446 113.3
[M+HCOO]- 160.007387 137.6
[M+CH3COO]- 174.023037 162.3
[M+Na-2H]- 135.983852 122.7
[M]+ 115.00863742 119.6
[M]- 115.00973458 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

No literature data available for this compound.

Patent stripe

patents stripe