CID 214236

2-piperidinoethyl p-tolyl sulfoxide hydrochloride

Structural Information

Molecular Formula
C14H21NOS
SMILES
CC1=CC=C(C=C1)S(=O)CCN2CCCCC2
InChI
InChI=1S/C14H21NOS/c1-13-5-7-14(8-6-13)17(16)12-11-15-9-3-2-4-10-15/h5-8H,2-4,9-12H2,1H3
InChIKey
IBFXEQBKDREQEQ-UHFFFAOYSA-N
Compound name
1-[2-(4-methylphenyl)sulfinylethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.13438 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.141656 157.1
[M+Na]+ 274.123598 161.8
[M-H]- 250.127104 161.4
[M+NH4]+ 269.168203 173.1
[M+K]+ 290.097538 158.0
[M+H-H2O]+ 234.131640 149.2
[M+HCOO]- 296.132581 170.2
[M+CH3COO]- 310.148231 192.6
[M+Na-2H]- 272.109046 157.4
[M]+ 251.13383142 155.2
[M]- 251.13492858 155.2
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.