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]+ 210.094706 144.3
[M+Na]+ 232.076648 151.8
[M-H]- 208.080154 151.3
[M+NH4]+ 227.121253 165.7
[M+K]+ 248.050588 149.6
[M+H-H2O]+ 192.084690 139.0
[M+HCOO]- 254.085631 162.4
[M+CH3COO]- 268.101281 157.5
[M+Na-2H]- 230.062096 147.4
[M]+ 209.08688142 143.8
[M]- 209.08797858 143.8
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.