CID 131631785

3-[4-(methylsulfanyl)phenyl]oxolan-3-amine

Structural Information

Molecular Formula
C11H15NOS
SMILES
CSC1=CC=C(C=C1)C2(CCOC2)N
InChI
InChI=1S/C11H15NOS/c1-14-10-4-2-9(3-5-10)11(12)6-7-13-8-11/h2-5H,6-8,12H2,1H3
InChIKey
FVMNADLIXXWLNU-UHFFFAOYSA-N
Compound name
3-(4-methylsulfanylphenyl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08743 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09471 144.7
[M+Na]+ 232.07665 155.6
[M+NH4]+ 227.12125 155.8
[M+K]+ 248.05059 147.3
[M-H]- 208.08015 150.6
[M+Na-2H]- 230.06210 152.4
[M]+ 209.08688 148.5
[M]- 209.08798 148.5
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

No patent data available for this compound.