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

100
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

No literature data available for this compound.

Patent stripe

patents stripe