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

13
Patents

157.03099 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.038266 123.3
[M+Na]+ 180.020208 131.0
[M-H]- 156.023714 125.1
[M+NH4]+ 175.064813 135.5
[M+K]+ 195.994148 132.0
[M+H-H2O]+ 140.028250 110.9
[M+HCOO]- 202.029191 138.0
[M+CH3COO]- 216.044841 173.9
[M+Na-2H]- 178.005656 125.9
[M]+ 157.03044142 131.9
[M]- 157.03153858 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