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

100
Patents

129.02484 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.032116 122.5
[M+Na]+ 152.014058 132.6
[M-H]- 128.017564 124.4
[M+NH4]+ 147.058663 145.4
[M+K]+ 167.987998 130.6
[M+H-H2O]+ 112.022100 117.5
[M+HCOO]- 174.023041 141.3
[M+CH3COO]- 188.038691 166.4
[M+Na-2H]- 149.999506 125.6
[M]+ 129.02429142 124.4
[M]- 129.02538858 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