CID 15153297

2-methoxy-4-(methylsulfanyl)aniline hydrochloride

Structural Information

Molecular Formula
C8H11NOS
SMILES
COC1=C(C=CC(=C1)SC)N
InChI
InChI=1S/C8H11NOS/c1-10-8-5-6(11-2)3-4-7(8)9/h3-5H,9H2,1-2H3
InChIKey
WPSKJCXEBQDCHJ-UHFFFAOYSA-N
Compound name
2-methoxy-4-methylsulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

No literature data available for this compound.

Patent stripe

patents stripe