CID 18411639

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

Structural Information

Molecular Formula
C3H4N2OS
SMILES
C1=C(SN=N1)CO
InChI
InChI=1S/C3H4N2OS/c6-2-3-1-4-5-7-3/h1,6H,2H2
InChIKey
PNHGMSJMBREBKO-UHFFFAOYSA-N
Compound name
thiadiazol-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

116.00443 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.01171 119.6
[M+Na]+ 138.99365 130.7
[M+NH4]+ 134.03825 128.1
[M+K]+ 154.96759 125.4
[M-H]- 114.99715 119.7
[M+Na-2H]- 136.97910 124.7
[M]+ 116.00388 121.4
[M]- 116.00498 121.4
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