CID 10329317

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

Structural Information

Molecular Formula
C5H7NOS
SMILES
CC1=C(SC=N1)CO
InChI
InChI=1S/C5H7NOS/c1-4-5(2-7)8-3-6-4/h3,7H,2H2,1H3
InChIKey
ZSPCITYHOYJDBW-UHFFFAOYSA-N
Compound name
(4-methyl-1,3-thiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

129.02484 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.03212 124.1
[M+Na]+ 152.01406 135.4
[M+NH4]+ 147.05866 133.2
[M+K]+ 167.98800 129.6
[M-H]- 128.01756 125.1
[M+Na-2H]- 149.99951 129.1
[M]+ 129.02429 126.3
[M]- 129.02539 126.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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