CID 3080297

Benzenemethanamine, 2-((2-methoxyphenyl)thio)-, hydrochloride

Structural Information

Molecular Formula
C14H15NOS
SMILES
COC1=CC=CC=C1SC2=CC=CC=C2CN
InChI
InChI=1S/C14H15NOS/c1-16-12-7-3-5-9-14(12)17-13-8-4-2-6-11(13)10-15/h2-9H,10,15H2,1H3
InChIKey
RSFTWODMUNQVGJ-UHFFFAOYSA-N
Compound name
[2-(2-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 153.4
[M+Na]+ 268.07665 161.3
[M-H]- 244.08015 159.9
[M+NH4]+ 263.12125 171.0
[M+K]+ 284.05059 156.4
[M+H-H2O]+ 228.08469 146.1
[M+HCOO]- 290.08563 173.2
[M+CH3COO]- 304.10128 194.2
[M+Na-2H]- 266.06210 156.5
[M]+ 245.08688 155.2
[M]- 245.08798 155.2
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

patents stripe