CID 21620422

(4-methanesulfinylphenyl)methanamine hydrochloride

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

22
Patents

169.05614 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.063416 133.0
[M+Na]+ 192.045358 141.0
[M-H]- 168.048864 136.6
[M+NH4]+ 187.089963 153.6
[M+K]+ 208.019298 138.1
[M+H-H2O]+ 152.053400 127.3
[M+HCOO]- 214.054341 152.2
[M+CH3COO]- 228.069991 179.4
[M+Na-2H]- 190.030806 135.8
[M]+ 169.05559142 133.4
[M]- 169.05668858 133.4
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