CID 21320043

1,3,4-thiadiazol-2-ylmethanol

Structural Information

Molecular Formula
C3H4N2OS
SMILES
C1=NN=C(S1)CO
InChI
InChI=1S/C3H4N2OS/c6-1-3-5-4-2-7-3/h2,6H,1H2
InChIKey
AKVYYXPCQNRSAM-UHFFFAOYSA-N
Compound name
1,3,4-thiadiazol-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

116.00443 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.011706 117.8
[M+Na]+ 138.993648 127.9
[M-H]- 114.997154 118.3
[M+NH4]+ 134.038253 139.6
[M+K]+ 154.967588 126.5
[M+H-H2O]+ 99.001690 112.0
[M+HCOO]- 161.002631 136.1
[M+CH3COO]- 175.018281 162.0
[M+Na-2H]- 136.979096 122.4
[M]+ 116.00388142 119.1
[M]- 116.00497858 119.1
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