CID 18411623

(4-methyl-1,2,3-thiadiazol-5-yl)methanol

Structural Information

Molecular Formula
C4H6N2OS
SMILES
CC1=C(SN=N1)CO
InChI
InChI=1S/C4H6N2OS/c1-3-4(2-7)8-6-5-3/h7H,2H2,1H3
InChIKey
MQLRVKHKJCRSBO-UHFFFAOYSA-N
Compound name
(4-methylthiadiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

65
Patents

130.02008 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.02736 122.1
[M+Na]+ 153.00930 132.6
[M-H]- 129.01280 122.7
[M+NH4]+ 148.05390 143.6
[M+K]+ 168.98324 130.8
[M+H-H2O]+ 113.01734 116.4
[M+HCOO]- 175.01828 140.0
[M+CH3COO]- 189.03393 166.1
[M+Na-2H]- 150.99475 125.5
[M]+ 130.01953 124.1
[M]- 130.02063 124.1
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