CID 14180391

1-methylpiperidine-4-thiol

Structural Information

Molecular Formula
C6H13NS
SMILES
CN1CCC(CC1)S
InChI
InChI=1S/C6H13NS/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
InChIKey
TXVSXWOWWHALFQ-UHFFFAOYSA-N
Compound name
1-methylpiperidine-4-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

131.07687 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08415 125.5
[M+Na]+ 154.06609 132.3
[M-H]- 130.06959 127.6
[M+NH4]+ 149.11069 147.0
[M+K]+ 170.04003 131.1
[M+H-H2O]+ 114.07413 119.9
[M+HCOO]- 176.07507 140.2
[M+CH3COO]- 190.09072 171.1
[M+Na-2H]- 152.05154 128.2
[M]+ 131.07632 123.2
[M]- 131.07742 123.2
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