CID 3063252

100252-09-3

Structural Information

Molecular Formula
C12H19NOS
SMILES
CCCSC(CN)C1=CC=C(C=C1)OC
InChI
InChI=1S/C12H19NOS/c1-3-8-15-12(9-13)10-4-6-11(14-2)7-5-10/h4-7,12H,3,8-9,13H2,1-2H3
InChIKey
LRFRPOKEOYHIOH-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-2-propylsulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11873 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.126006 151.4
[M+Na]+ 248.107948 157.4
[M-H]- 224.111454 154.3
[M+NH4]+ 243.152553 169.8
[M+K]+ 264.081888 154.2
[M+H-H2O]+ 208.115990 144.8
[M+HCOO]- 270.116931 169.2
[M+CH3COO]- 284.132581 192.3
[M+Na-2H]- 246.093396 152.3
[M]+ 225.11818142 153.9
[M]- 225.11927858 153.9
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.