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 144.3
[M+Na]+ 232.07665 151.8
[M-H]- 208.08015 151.3
[M+NH4]+ 227.12125 165.7
[M+K]+ 248.05059 149.6
[M+H-H2O]+ 192.08469 139.0
[M+HCOO]- 254.08563 162.4
[M+CH3COO]- 268.10128 157.5
[M+Na-2H]- 230.06210 147.4
[M]+ 209.08688 143.8
[M]- 209.08798 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.