CID 64980908

1267793-44-1

Structural Information

Molecular Formula
C6H9NO2S
SMILES
COCC1=NC=C(S1)CO
InChI
InChI=1S/C6H9NO2S/c1-9-4-6-7-2-5(3-8)10-6/h2,8H,3-4H2,1H3
InChIKey
BCJKVNCPCFIWEO-UHFFFAOYSA-N
Compound name
[2-(methoxymethyl)-1,3-thiazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

159.0354 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.042676 130.3
[M+Na]+ 182.024618 139.7
[M-H]- 158.028124 132.0
[M+NH4]+ 177.069223 151.9
[M+K]+ 197.998558 138.0
[M+H-H2O]+ 142.032660 124.9
[M+HCOO]- 204.033601 149.0
[M+CH3COO]- 218.049251 171.4
[M+Na-2H]- 180.010066 133.0
[M]+ 159.03485142 134.0
[M]- 159.03594858 134.0
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