CID 92135146

2413869-21-1

Structural Information

Molecular Formula
C5H9N3S
SMILES
C1=NN=C(S1)CCCN
InChI
InChI=1S/C5H9N3S/c6-3-1-2-5-8-7-4-9-5/h4H,1-3,6H2
InChIKey
SHJZOCMQNQHQGZ-UHFFFAOYSA-N
Compound name
3-(1,3,4-thiadiazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.05171 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05899 126.4
[M+Na]+ 166.04093 135.3
[M-H]- 142.04443 127.3
[M+NH4]+ 161.08553 147.2
[M+K]+ 182.01487 133.2
[M+H-H2O]+ 126.04897 119.5
[M+HCOO]- 188.04991 145.6
[M+CH3COO]- 202.06556 172.8
[M+Na-2H]- 164.02638 130.0
[M]+ 143.05116 127.1
[M]- 143.05226 127.1
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.