CID 16227803

94284-47-6

Structural Information

Molecular Formula
C9H9N3S
SMILES
CC1=C(SC(=N1)N)C2=CC=CC=N2
InChI
InChI=1S/C9H9N3S/c1-6-8(13-9(10)12-6)7-4-2-3-5-11-7/h2-5H,1H3,(H2,10,12)
InChIKey
PQIKKMHGTBYZLC-UHFFFAOYSA-N
Compound name
4-methyl-5-pyridin-2-yl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

191.05171 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05899 137.9
[M+Na]+ 214.04093 148.6
[M-H]- 190.04443 142.8
[M+NH4]+ 209.08553 157.2
[M+K]+ 230.01487 144.4
[M+H-H2O]+ 174.04897 130.7
[M+HCOO]- 236.04991 157.6
[M+CH3COO]- 250.06556 151.7
[M+Na-2H]- 212.02638 140.8
[M]+ 191.05116 138.6
[M]- 191.05226 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

No literature data available for this compound.

Patent stripe

patents stripe