CID 14211433

117360-26-6

Structural Information

Molecular Formula
C10H11N3S
SMILES
C1=CC(=CC=C1CN)C2=CSC(=N2)N
InChI
InChI=1S/C10H11N3S/c11-5-7-1-3-8(4-2-7)9-6-14-10(12)13-9/h1-4,6H,5,11H2,(H2,12,13)
InChIKey
YGXAFKJKGUIHMB-UHFFFAOYSA-N
Compound name
4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

205.06737 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.074646 141.5
[M+Na]+ 228.056588 150.7
[M-H]- 204.060094 146.9
[M+NH4]+ 223.101193 160.8
[M+K]+ 244.030528 145.9
[M+H-H2O]+ 188.064630 134.4
[M+HCOO]- 250.065571 162.4
[M+CH3COO]- 264.081221 154.7
[M+Na-2H]- 226.042036 143.7
[M]+ 205.06682142 140.3
[M]- 205.06791858 140.3
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