CID 1240869

Phenol, 2-((2-(aminomethyl)phenyl)thio)-, hydrochloride

Structural Information

Molecular Formula
C13H13NOS
SMILES
C1=CC=C(C(=C1)CN)SC2=CC=CC=C2O
InChI
InChI=1S/C13H13NOS/c14-9-10-5-1-3-7-12(10)16-13-8-4-2-6-11(13)15/h1-8,15H,9,14H2
InChIKey
QCRMQPHVKNZXCM-UHFFFAOYSA-N
Compound name
2-[2-(aminomethyl)phenyl]sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

231.0718 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07908 148.8
[M+Na]+ 254.06102 156.8
[M-H]- 230.06452 154.1
[M+NH4]+ 249.10562 166.3
[M+K]+ 270.03496 151.2
[M+H-H2O]+ 214.06906 142.1
[M+HCOO]- 276.07000 167.5
[M+CH3COO]- 290.08565 188.8
[M+Na-2H]- 252.04647 152.1
[M]+ 231.07125 148.5
[M]- 231.07235 148.5
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