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]+ 160.04268 129.8
[M+Na]+ 182.02462 140.1
[M-H]- 158.02812 131.9
[M+NH4]+ 177.06922 151.7
[M+K]+ 197.99856 138.3
[M+H-H2O]+ 142.03266 124.7
[M+HCOO]- 204.03360 148.5
[M+CH3COO]- 218.04925 172.5
[M+Na-2H]- 180.01007 131.9
[M]+ 159.03485 133.9
[M]- 159.03595 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.