CID 21816259

90507-33-8

Structural Information

Molecular Formula
C3H4N2OS
SMILES
C1=NSN=C1CO
InChI
InChI=1S/C3H4N2OS/c6-2-3-1-4-7-5-3/h1,6H,2H2
InChIKey
AICZEPAZLXWVES-UHFFFAOYSA-N
Compound name
1,2,5-thiadiazol-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

116.00443 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.01171 117.8
[M+Na]+ 138.99365 127.9
[M-H]- 114.99715 118.3
[M+NH4]+ 134.03825 139.6
[M+K]+ 154.96759 126.5
[M+H-H2O]+ 99.001690 112.0
[M+HCOO]- 161.00263 136.1
[M+CH3COO]- 175.01828 162.0
[M+Na-2H]- 136.97910 122.4
[M]+ 116.00388 119.1
[M]- 116.00498 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