CID 21843659

2060063-87-6

Structural Information

Molecular Formula
C3H5N3S
SMILES
C1=NN=C(S1)CN
InChI
InChI=1S/C3H5N3S/c4-1-3-6-5-2-7-3/h2H,1,4H2
InChIKey
MGOALIGCJKNQBC-UHFFFAOYSA-N
Compound name
1,3,4-thiadiazol-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
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