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]+ 144.058986 126.4
[M+Na]+ 166.040928 135.3
[M-H]- 142.044434 127.3
[M+NH4]+ 161.085533 147.2
[M+K]+ 182.014868 133.2
[M+H-H2O]+ 126.048970 119.5
[M+HCOO]- 188.049911 145.6
[M+CH3COO]- 202.065561 172.8
[M+Na-2H]- 164.026376 130.0
[M]+ 143.05116142 127.1
[M]- 143.05225858 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.