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-ethylsulfanyl-4-pyridinyl)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]+ 169.079386 133.4
[M+Na]+ 191.061328 141.7
[M-H]- 167.064834 135.6
[M+NH4]+ 186.105933 153.0
[M+K]+ 207.035268 138.4
[M+H-H2O]+ 151.069370 127.0
[M+HCOO]- 213.070311 152.1
[M+CH3COO]- 227.085961 180.0
[M+Na-2H]- 189.046776 137.5
[M]+ 168.07156142 134.2
[M]- 168.07265858 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.