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]+ 270.11583 159.6
[M+Na]+ 292.09777 164.7
[M-H]- 268.10127 164.5
[M+NH4]+ 287.14237 173.3
[M+K]+ 308.07171 162.5
[M+H-H2O]+ 252.10581 151.9
[M+HCOO]- 314.10675 172.5
[M+CH3COO]- 328.12240 191.4
[M+Na-2H]- 290.08322 163.9
[M]+ 269.10800 159.7
[M]- 269.10910 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.