CID 3057364

H 272

Structural Information

Molecular Formula
C14H20ClNO
SMILES
CCCC(C1=CC=C(C=C1)Cl)N2CCOCC2
InChI
InChI=1S/C14H20ClNO/c1-2-3-14(16-8-10-17-11-9-16)12-4-6-13(15)7-5-12/h4-7,14H,2-3,8-11H2,1H3
InChIKey
BBBPXTPMAKKYGL-UHFFFAOYSA-N
Compound name
4-[1-(4-chlorophenyl)butyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.12334 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.130616 159.2
[M+Na]+ 276.112558 164.1
[M-H]- 252.116064 163.6
[M+NH4]+ 271.157163 173.9
[M+K]+ 292.086498 160.9
[M+H-H2O]+ 236.120600 151.4
[M+HCOO]- 298.121541 171.5
[M+CH3COO]- 312.137191 193.4
[M+Na-2H]- 274.098006 162.5
[M]+ 253.12279142 158.2
[M]- 253.12388858 158.2
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.