CID 19429123

1803600-90-9

Structural Information

Molecular Formula
C3H5N3S
SMILES
C1=NSN=C1CN
InChI
InChI=1S/C3H5N3S/c4-1-3-2-5-7-6-3/h2H,1,4H2
InChIKey
JAFIKRFBSSSNKS-UHFFFAOYSA-N
Compound name
1,2,5-thiadiazol-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

115.02042 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.027696 117.6
[M+Na]+ 138.009638 127.4
[M-H]- 114.013144 118.9
[M+NH4]+ 133.054243 139.6
[M+K]+ 153.983578 125.8
[M+H-H2O]+ 98.017680 111.2
[M+HCOO]- 160.018621 137.5
[M+CH3COO]- 174.034271 166.7
[M+Na-2H]- 135.995086 122.3
[M]+ 115.01987142 117.7
[M]- 115.02096858 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

patents stripe