CID 91647791

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

130.02008 Da
Monoisotopic Mass

0.3
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

No literature data available for this compound.

Patent stripe

patents stripe