CID 3047919

Usaf a-25318

Structural Information

Molecular Formula
C8H16N2S
SMILES
CN1CCC(=CC1)SCCN
InChI
InChI=1S/C8H16N2S/c1-10-5-2-8(3-6-10)11-7-4-9/h2H,3-7,9H2,1H3
InChIKey
MSBOOZSDLUKVDT-UHFFFAOYSA-N
Compound name
2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10342 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11070 136.8
[M+Na]+ 195.09264 142.9
[M-H]- 171.09614 138.1
[M+NH4]+ 190.13724 156.0
[M+K]+ 211.06658 140.1
[M+H-H2O]+ 155.10068 130.2
[M+HCOO]- 217.10162 152.5
[M+CH3COO]- 231.11727 180.7
[M+Na-2H]- 193.07809 138.8
[M]+ 172.10287 134.7
[M]- 172.10397 134.7
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.