CID 13104124

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

Structural Information

Molecular Formula
C9H9N3S
SMILES
C1=CC=C(C=C1)C2=NN=C(S2)CN
InChI
InChI=1S/C9H9N3S/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-5H,6,10H2
InChIKey
XUJWBTRPNYDMJM-UHFFFAOYSA-N
Compound name
(5-phenyl-1,3,4-thiadiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

191.05171 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05899 138.2
[M+Na]+ 214.04093 151.0
[M+NH4]+ 209.08553 147.4
[M+K]+ 230.01487 144.1
[M-H]- 190.04443 142.2
[M+Na-2H]- 212.02638 146.6
[M]+ 191.05116 141.6
[M]- 191.05226 141.6
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