CID 413137

2-amino-5-ethoxybenzenethiol

Structural Information

Molecular Formula
C8H11NOS
SMILES
CCOC1=CC(=C(C=C1)N)S
InChI
InChI=1S/C8H11NOS/c1-2-10-6-3-4-7(9)8(11)5-6/h3-5,11H,2,9H2,1H3
InChIKey
KWCYELBAYUBCNS-UHFFFAOYSA-N
Compound name
2-amino-5-ethoxybenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

169.05614 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06342 132.6
[M+Na]+ 192.04536 141.5
[M-H]- 168.04886 136.6
[M+NH4]+ 187.08996 153.7
[M+K]+ 208.01930 138.8
[M+H-H2O]+ 152.05340 127.0
[M+HCOO]- 214.05434 152.7
[M+CH3COO]- 228.06999 180.5
[M+Na-2H]- 190.03081 135.9
[M]+ 169.05559 134.7
[M]- 169.05669 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe