CID 123294

2-piperidinethione, 1-methyl-

Structural Information

Molecular Formula
C6H11NS
SMILES
CN1CCCCC1=S
InChI
InChI=1S/C6H11NS/c1-7-5-3-2-4-6(7)8/h2-5H2,1H3
InChIKey
XFIZSHPTOGBACZ-UHFFFAOYSA-N
Compound name
1-methylpiperidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

129.06122 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.068496 124.5
[M+Na]+ 152.050438 131.6
[M-H]- 128.053944 126.6
[M+NH4]+ 147.095043 145.9
[M+K]+ 168.024378 129.7
[M+H-H2O]+ 112.058480 119.0
[M+HCOO]- 174.059421 139.3
[M+CH3COO]- 188.075071 170.2
[M+Na-2H]- 150.035886 127.1
[M]+ 129.06067142 121.4
[M]- 129.06176858 121.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe