CID 426608

2-(benzenesulfinyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H11NOS
SMILES
C1=CC=C(C=C1)S(=O)CCN
InChI
InChI=1S/C8H11NOS/c9-6-7-11(10)8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKey
USGBICHYFBISPZ-UHFFFAOYSA-N
Compound name
2-(benzenesulfinyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

169.05614 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.063416 133.4
[M+Na]+ 192.045358 140.5
[M-H]- 168.048864 136.7
[M+NH4]+ 187.089963 153.7
[M+K]+ 208.019298 137.6
[M+H-H2O]+ 152.053400 127.4
[M+HCOO]- 214.054341 152.7
[M+CH3COO]- 228.069991 178.3
[M+Na-2H]- 190.030806 136.9
[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