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]+ 156.04776 128.5
[M+Na]+ 178.02970 137.4
[M-H]- 154.03320 131.2
[M+NH4]+ 173.07430 149.4
[M+K]+ 194.00364 134.0
[M+H-H2O]+ 138.03774 123.4
[M+HCOO]- 200.03868 147.4
[M+CH3COO]- 214.05433 174.9
[M+Na-2H]- 176.01515 131.9
[M]+ 155.03993 128.4
[M]- 155.04103 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