CID 2737288

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

Structural Information

Molecular Formula
C9H9N3S
SMILES
C1=CC(=CC=C1CN)C2=CSN=N2
InChI
InChI=1S/C9H9N3S/c10-5-7-1-3-8(4-2-7)9-6-13-12-11-9/h1-4,6H,5,10H2
InChIKey
FWSCINFUBQNPJM-UHFFFAOYSA-N
Compound name
[4-(thiadiazol-4-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

190
Patents

191.05171 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05899 137.5
[M+Na]+ 214.04093 147.3
[M-H]- 190.04443 142.0
[M+NH4]+ 209.08553 156.5
[M+K]+ 230.01487 143.1
[M+H-H2O]+ 174.04897 130.0
[M+HCOO]- 236.04991 157.2
[M+CH3COO]- 250.06556 150.9
[M+Na-2H]- 212.02638 141.1
[M]+ 191.05116 137.8
[M]- 191.05226 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe