CID 67016804

1-(1,2,4-thiadiazol-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C3H5N3S
SMILES
C1=NC(=NS1)CN
InChI
InChI=1S/C3H5N3S/c4-1-3-5-2-7-6-3/h2H,1,4H2
InChIKey
CJIPDAITNWUGAV-UHFFFAOYSA-N
Compound name
1,2,4-thiadiazol-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

115.02042 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.02770 117.6
[M+Na]+ 138.00964 127.4
[M-H]- 114.01314 118.9
[M+NH4]+ 133.05424 139.6
[M+K]+ 153.98358 125.8
[M+H-H2O]+ 98.017680 111.2
[M+HCOO]- 160.01862 137.5
[M+CH3COO]- 174.03427 166.7
[M+Na-2H]- 135.99509 122.3
[M]+ 115.01987 117.7
[M]- 115.02097 117.7
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.