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]+ 240.114976 154.5
[M+Na]+ 262.096918 158.9
[M-H]- 238.100424 158.7
[M+NH4]+ 257.141523 169.5
[M+K]+ 278.070858 155.9
[M+H-H2O]+ 222.104960 146.7
[M+HCOO]- 284.105901 167.2
[M+CH3COO]- 298.121551 189.3
[M+Na-2H]- 260.082366 159.1
[M]+ 239.10715142 152.8
[M]- 239.10824858 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.