CID 560201

4-(3-phenylpropylsulfonyl)morpholine

Structural Information

Molecular Formula
C13H19NO3S
SMILES
C1COCCN1S(=O)(=O)CCCC2=CC=CC=C2
InChI
InChI=1S/C13H19NO3S/c15-18(16,14-8-10-17-11-9-14)12-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2
InChIKey
NZNVZBOVUXBAJO-UHFFFAOYSA-N
Compound name
4-(3-phenylpropylsulfonyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.10855 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.115826 159.6
[M+Na]+ 292.097768 164.7
[M-H]- 268.101274 164.5
[M+NH4]+ 287.142373 173.3
[M+K]+ 308.071708 162.5
[M+H-H2O]+ 252.105810 151.9
[M+HCOO]- 314.106751 172.5
[M+CH3COO]- 328.122401 191.4
[M+Na-2H]- 290.083216 163.9
[M]+ 269.10800142 159.7
[M]- 269.10909858 159.7
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.