CID 826591

127905-99-1

Structural Information

Molecular Formula
C14H15NOS
SMILES
COC1=CC(=CC=C1)SC2=CC=CC=C2CN
InChI
InChI=1S/C14H15NOS/c1-16-12-6-4-7-13(9-12)17-14-8-3-2-5-11(14)10-15/h2-9H,10,15H2,1H3
InChIKey
KIMUCHUGRRISTA-UHFFFAOYSA-N
Compound name
[2-(3-methoxyphenyl)sulfanylphenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.08743 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09471 153.6
[M+Na]+ 268.07665 167.8
[M+NH4]+ 263.12125 163.4
[M+K]+ 284.05059 157.5
[M-H]- 244.08015 159.6
[M+Na-2H]- 266.06210 163.0
[M]+ 245.08688 158.0
[M]- 245.08798 158.0
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.