CID 64158461

1-(1,3,4-thiadiazol-2-yl)azetidin-3-ol

Structural Information

Molecular Formula
C5H7N3OS
SMILES
C1C(CN1C2=NN=CS2)O
InChI
InChI=1S/C5H7N3OS/c9-4-1-8(2-4)5-7-6-3-10-5/h3-4,9H,1-2H2
InChIKey
QTECUNQWCGAIQO-UHFFFAOYSA-N
Compound name
1-(1,3,4-thiadiazol-2-yl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

157.03099 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03827 123.3
[M+Na]+ 180.02021 131.0
[M-H]- 156.02371 125.1
[M+NH4]+ 175.06481 135.5
[M+K]+ 195.99415 132.0
[M+H-H2O]+ 140.02825 110.9
[M+HCOO]- 202.02919 138.0
[M+CH3COO]- 216.04484 173.9
[M+Na-2H]- 178.00566 125.9
[M]+ 157.03044 131.9
[M]- 157.03154 131.9
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