CID 5148146

2-amino-5-(methylthio)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

155.04048 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.047756 128.5
[M+Na]+ 178.029698 137.4
[M-H]- 154.033204 131.2
[M+NH4]+ 173.074303 149.4
[M+K]+ 194.003638 134.0
[M+H-H2O]+ 138.037740 123.4
[M+HCOO]- 200.038681 147.4
[M+CH3COO]- 214.054331 174.9
[M+Na-2H]- 176.015146 131.9
[M]+ 155.03993142 128.4
[M]- 155.04102858 128.4
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