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]+ 254.13062 159.2
[M+Na]+ 276.11256 164.1
[M-H]- 252.11606 163.6
[M+NH4]+ 271.15716 173.9
[M+K]+ 292.08650 160.9
[M+H-H2O]+ 236.12060 151.4
[M+HCOO]- 298.12154 171.5
[M+CH3COO]- 312.13719 193.4
[M+Na-2H]- 274.09801 162.5
[M]+ 253.12279 158.2
[M]- 253.12389 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.