CID 217545

38920-71-7

Structural Information

Molecular Formula
C15H25NOS
SMILES
CC(C)C1=CC=CC=C1OCCCCNCCS
InChI
InChI=1S/C15H25NOS/c1-13(2)14-7-3-4-8-15(14)17-11-6-5-9-16-10-12-18/h3-4,7-8,13,16,18H,5-6,9-12H2,1-2H3
InChIKey
QAIHTFVZFJESSF-UHFFFAOYSA-N
Compound name
2-[4-(2-propan-2-ylphenoxy)butylamino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16568 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.17296 164.5
[M+Na]+ 290.15490 174.8
[M+NH4]+ 285.19950 172.8
[M+K]+ 306.12884 165.3
[M-H]- 266.15840 167.4
[M+Na-2H]- 288.14035 169.6
[M]+ 267.16513 167.2
[M]- 267.16623 167.2
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.