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 161.7
[M+Na]+ 274.16000 165.7
[M-H]- 250.16350 165.6
[M+NH4]+ 269.20460 179.7
[M+K]+ 290.13394 163.1
[M+H-H2O]+ 234.16804 154.2
[M+HCOO]- 296.16898 179.3
[M+CH3COO]- 310.18463 202.4
[M+Na-2H]- 272.14545 161.9
[M]+ 251.17023 165.7
[M]- 251.17133 165.7
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.