CID 16461923

866782-00-5

Structural Information

Molecular Formula
C12H17ClN2O
SMILES
C1COCCN1C(CN)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H17ClN2O/c13-11-3-1-10(2-4-11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-9,14H2
InChIKey
OIWUWMGJYGAUJR-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-morpholin-4-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

240.10294 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11022 154.2
[M+Na]+ 263.09216 166.8
[M+NH4]+ 258.13676 163.0
[M+K]+ 279.06610 159.9
[M-H]- 239.09566 159.7
[M+Na-2H]- 261.07761 161.0
[M]+ 240.10239 157.8
[M]- 240.10349 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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