CID 61993589

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

Structural Information

Molecular Formula
C5H9N3OS
SMILES
CC(C)(C1=NN=C(S1)N)O
InChI
InChI=1S/C5H9N3OS/c1-5(2,9)3-7-8-4(6)10-3/h9H,1-2H3,(H2,6,8)
InChIKey
BIUYRMJRSVCGMA-UHFFFAOYSA-N
Compound name
2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04663 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05391 132.3
[M+Na]+ 182.03585 141.7
[M-H]- 158.03935 132.4
[M+NH4]+ 177.08045 152.0
[M+K]+ 198.00979 139.4
[M+H-H2O]+ 142.04389 126.5
[M+HCOO]- 204.04483 148.6
[M+CH3COO]- 218.06048 173.6
[M+Na-2H]- 180.02130 135.5
[M]+ 159.04608 132.3
[M]- 159.04718 132.3
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

No patent data available for this compound.