CID 19048349

4-amino-3-(methylsulfanyl)phenol

Structural Information

Molecular Formula
C7H9NOS
SMILES
CSC1=C(C=CC(=C1)O)N
InChI
InChI=1S/C7H9NOS/c1-10-7-4-5(9)2-3-6(7)8/h2-4,9H,8H2,1H3
InChIKey
URNPJAGSKRJTAK-UHFFFAOYSA-N
Compound name
4-amino-3-methylsulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

155.04048 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 129.2
[M+Na]+ 178.02970 141.1
[M+NH4]+ 173.07430 138.5
[M+K]+ 194.00364 133.4
[M-H]- 154.03320 132.0
[M+Na-2H]- 176.01515 135.3
[M]+ 155.03993 132.1
[M]- 155.04103 132.1
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