CID 3041723

Benzyl alcohol, alpha-(1-(butylamino)ethyl)-4-(ethylthio)-, hydrochloride

Structural Information

Molecular Formula
C15H25NOS
SMILES
CCCCNC(C)C(C1=CC=C(C=C1)SCC)O
InChI
InChI=1S/C15H25NOS/c1-4-6-11-16-12(3)15(17)13-7-9-14(10-8-13)18-5-2/h7-10,12,15-17H,4-6,11H2,1-3H3
InChIKey
YBEXHQPSXDMOFB-UHFFFAOYSA-N
Compound name
2-(butylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.16568 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.17296 164.7
[M+Na]+ 290.15490 174.2
[M+NH4]+ 285.19950 172.6
[M+K]+ 306.12884 165.8
[M-H]- 266.15840 166.9
[M+Na-2H]- 288.14035 168.9
[M]+ 267.16513 167.0
[M]- 267.16623 167.0
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.