CID 18406887

202932-04-5

Structural Information

Molecular Formula
C5H7NOS
SMILES
CC1=CN=C(S1)CO
InChI
InChI=1S/C5H7NOS/c1-4-2-6-5(3-7)8-4/h2,7H,3H2,1H3
InChIKey
BWKAOFJDCPNWEC-UHFFFAOYSA-N
Compound name
(5-methyl-1,3-thiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
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 122.5
[M+Na]+ 152.01406 132.6
[M-H]- 128.01756 124.4
[M+NH4]+ 147.05866 145.4
[M+K]+ 167.98800 130.6
[M+H-H2O]+ 112.02210 117.5
[M+HCOO]- 174.02304 141.3
[M+CH3COO]- 188.03869 166.4
[M+Na-2H]- 149.99951 125.6
[M]+ 129.02429 124.4
[M]- 129.02539 124.4
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