CID 58177

2-(alpha-butylbenzylthio)-n,n-dimethylethylamine

Structural Information

Molecular Formula
C15H25NS
SMILES
CCCCC(C1=CC=CC=C1)SCCN(C)C
InChI
InChI=1S/C15H25NS/c1-4-5-11-15(17-13-12-16(2)3)14-9-7-6-8-10-14/h6-10,15H,4-5,11-13H2,1-3H3
InChIKey
DKVWUPYOCOZFHD-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(1-phenylpentylsulfanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.17078 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17806 161.2
[M+Na]+ 274.16000 171.9
[M+NH4]+ 269.20460 170.4
[M+K]+ 290.13394 162.2
[M-H]- 250.16350 165.0
[M+Na-2H]- 272.14545 167.3
[M]+ 251.17023 164.3
[M]- 251.17133 164.3
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.