CID 21620422

1189719-93-4

Structural Information

Molecular Formula
C8H11NOS
SMILES
CS(=O)C1=CC=C(C=C1)CN
InChI
InChI=1S/C8H11NOS/c1-11(10)8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
InChIKey
OVDPJXUHQXPHIX-UHFFFAOYSA-N
Compound name
(4-methylsulfinylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

169.05614 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06342 133.7
[M+Na]+ 192.04536 145.2
[M+NH4]+ 187.08996 142.8
[M+K]+ 208.01930 137.4
[M-H]- 168.04886 136.5
[M+Na-2H]- 190.03081 139.9
[M]+ 169.05559 136.5
[M]- 169.05669 136.5
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