CID 201869

7033-03-6

Structural Information

Molecular Formula
C13H18ClNO
SMILES
C1COCCN1C(CCCl)C2=CC=CC=C2
InChI
InChI=1S/C13H18ClNO/c14-7-6-13(12-4-2-1-3-5-12)15-8-10-16-11-9-15/h1-5,13H,6-11H2
InChIKey
CKVIMKAJVXNFDS-UHFFFAOYSA-N
Compound name
4-(3-chloro-1-phenylpropyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1077 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11498 154.5
[M+Na]+ 262.09692 158.9
[M-H]- 238.10042 158.7
[M+NH4]+ 257.14152 169.5
[M+K]+ 278.07086 155.9
[M+H-H2O]+ 222.10496 146.7
[M+HCOO]- 284.10590 167.2
[M+CH3COO]- 298.12155 189.3
[M+Na-2H]- 260.08237 159.1
[M]+ 239.10715 152.8
[M]- 239.10825 152.8
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.