CID 17750171

3-tert-butylsulfanyl-pyridin-2-ylamine

Structural Information

Molecular Formula
C9H14N2S
SMILES
CC(C)(C)SC1=C(N=CC=C1)N
InChI
InChI=1S/C9H14N2S/c1-9(2,3)12-7-5-4-6-11-8(7)10/h4-6H,1-3H3,(H2,10,11)
InChIKey
JBLSSTPVTVGUEG-UHFFFAOYSA-N
Compound name
3-tert-butylsulfanylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

182.08777 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09505 139.5
[M+Na]+ 205.07699 147.9
[M-H]- 181.08049 141.8
[M+NH4]+ 200.12159 158.8
[M+K]+ 221.05093 144.7
[M+H-H2O]+ 165.08503 133.5
[M+HCOO]- 227.08597 156.4
[M+CH3COO]- 241.10162 182.7
[M+Na-2H]- 203.06244 143.6
[M]+ 182.08722 140.1
[M]- 182.08832 140.1
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