CID 43528769

[2-(ethylsulfanyl)pyridin-4-yl]methanamine

Structural Information

Molecular Formula
C8H12N2S
SMILES
CCSC1=NC=CC(=C1)CN
InChI
InChI=1S/C8H12N2S/c1-2-11-8-5-7(6-9)3-4-10-8/h3-5H,2,6,9H2,1H3
InChIKey
ULNSWZJRJPRPPE-UHFFFAOYSA-N
Compound name
(2-ethylsulfanylpyridin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07211 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07939 133.4
[M+Na]+ 191.06133 141.7
[M-H]- 167.06483 135.6
[M+NH4]+ 186.10593 153.0
[M+K]+ 207.03527 138.4
[M+H-H2O]+ 151.06937 127.0
[M+HCOO]- 213.07031 152.1
[M+CH3COO]- 227.08596 180.0
[M+Na-2H]- 189.04678 137.5
[M]+ 168.07156 134.2
[M]- 168.07266 134.2
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

No patent data available for this compound.