CID 17750909

13750-63-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

336
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

literature stripe

Patent stripe

patents stripe