CID 137838647

(4-methoxy-5-methyl-1,3-thiazol-2-yl)methanol

Structural Information

Molecular Formula
C6H9NO2S
SMILES
CC1=C(N=C(S1)CO)OC
InChI
InChI=1S/C6H9NO2S/c1-4-6(9-2)7-5(3-8)10-4/h8H,3H2,1-2H3
InChIKey
AGMZBPPLRJKNGS-UHFFFAOYSA-N
Compound name
(4-methoxy-5-methyl-1,3-thiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.0354 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.042676 129.8
[M+Na]+ 182.024618 140.1
[M-H]- 158.028124 131.9
[M+NH4]+ 177.069223 151.7
[M+K]+ 197.998558 138.3
[M+H-H2O]+ 142.032660 124.7
[M+HCOO]- 204.033601 148.5
[M+CH3COO]- 218.049251 172.5
[M+Na-2H]- 180.010066 131.9
[M]+ 159.03485142 133.9
[M]- 159.03594858 133.9
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

No patent data available for this compound.