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

9
Patents

182.08777 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.095046 139.5
[M+Na]+ 205.076988 147.9
[M-H]- 181.080494 141.8
[M+NH4]+ 200.121593 158.8
[M+K]+ 221.050928 144.7
[M+H-H2O]+ 165.085030 133.5
[M+HCOO]- 227.085971 156.4
[M+CH3COO]- 241.101621 182.7
[M+Na-2H]- 203.062436 143.6
[M]+ 182.08722142 140.1
[M]- 182.08831858 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