CID 64160047

1-(1,3,4-thiadiazol-2-yl)azetidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C5H8N4S
SMILES
C1C(CN1C2=NN=CS2)N
InChI
InChI=1S/C5H8N4S/c6-4-1-9(2-4)5-8-7-3-10-5/h3-4H,1-2,6H2
InChIKey
MYXYTRFBKSWLAP-UHFFFAOYSA-N
Compound name
1-(1,3,4-thiadiazol-2-yl)azetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.04697 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05425 125.0
[M+Na]+ 179.03619 132.3
[M-H]- 155.03969 127.5
[M+NH4]+ 174.08079 137.3
[M+K]+ 195.01013 133.2
[M+H-H2O]+ 139.04423 111.6
[M+HCOO]- 201.04517 141.1
[M+CH3COO]- 215.06082 178.4
[M+Na-2H]- 177.02164 127.4
[M]+ 156.04642 132.3
[M]- 156.04752 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.