CID 11062424

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

Structural Information

Molecular Formula
C3H5N3OS
SMILES
C(C1=NN=C(S1)N)O
InChI
InChI=1S/C3H5N3OS/c4-3-6-5-2(1-7)8-3/h7H,1H2,(H2,4,6)
InChIKey
URCCVQJLYSKFBQ-UHFFFAOYSA-N
Compound name
(5-amino-1,3,4-thiadiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
Patents

131.01534 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02262 121.4
[M+Na]+ 154.00456 131.4
[M-H]- 130.00806 121.6
[M+NH4]+ 149.04916 142.2
[M+K]+ 169.97850 129.2
[M+H-H2O]+ 114.01260 115.3
[M+HCOO]- 176.01354 139.9
[M+CH3COO]- 190.02919 167.2
[M+Na-2H]- 151.99001 124.9
[M]+ 131.01479 121.3
[M]- 131.01589 121.3
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