CID 590958

L 1499

Structural Information

Molecular Formula
C9H9N3S
SMILES
CC1=CC=CC=C1C2=NN=C(S2)N
InChI
InChI=1S/C9H9N3S/c1-6-4-2-3-5-7(6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12)
InChIKey
QGYAMNLNFAVLLE-UHFFFAOYSA-N
Compound name
5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

23
Patents

191.05171 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.058986 137.9
[M+Na]+ 214.040928 148.6
[M-H]- 190.044434 142.8
[M+NH4]+ 209.085533 157.2
[M+K]+ 230.014868 144.4
[M+H-H2O]+ 174.048970 130.7
[M+HCOO]- 236.049911 157.6
[M+CH3COO]- 250.065561 151.7
[M+Na-2H]- 212.026376 140.8
[M]+ 191.05116142 138.6
[M]- 191.05225858 138.6
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