CID 19939863

152513-90-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

115.02042 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.02770 118.9
[M+Na]+ 138.00964 129.4
[M+NH4]+ 133.05424 127.7
[M+K]+ 153.98358 124.1
[M-H]- 114.01314 120.1
[M+Na-2H]- 135.99509 124.5
[M]+ 115.01987 121.0
[M]- 115.02097 121.0
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