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

6
Patents

169.05614 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06342 133.4
[M+Na]+ 192.04536 140.5
[M-H]- 168.04886 136.7
[M+NH4]+ 187.08996 153.7
[M+K]+ 208.01930 137.6
[M+H-H2O]+ 152.05340 127.4
[M+HCOO]- 214.05434 152.7
[M+CH3COO]- 228.06999 178.3
[M+Na-2H]- 190.03081 136.9
[M]+ 169.05559 133.4
[M]- 169.05669 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