CID 28412332

5-(benzylsulfanyl)pyridin-2-amine

Structural Information

Molecular Formula
C12H12N2S
SMILES
C1=CC=C(C=C1)CSC2=CN=C(C=C2)N
InChI
InChI=1S/C12H12N2S/c13-12-7-6-11(8-14-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,13,14)
InChIKey
IYYBMHZDZXPAGP-UHFFFAOYSA-N
Compound name
5-benzylsulfanylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

216.07211 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.079386 144.7
[M+Na]+ 239.061328 153.0
[M-H]- 215.064834 149.9
[M+NH4]+ 234.105933 162.0
[M+K]+ 255.035268 147.7
[M+H-H2O]+ 199.069370 137.1
[M+HCOO]- 261.070311 163.9
[M+CH3COO]- 275.085961 157.3
[M+Na-2H]- 237.046776 149.7
[M]+ 216.07156142 144.6
[M]- 216.07265858 144.6
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