CID 3847395

2-(2-chlorophenyl)-2-(morpholin-4-yl)ethylamine

Structural Information

Molecular Formula
C12H17ClN2O
SMILES
C1COCCN1C(CN)C2=CC=CC=C2Cl
InChI
InChI=1S/C12H17ClN2O/c13-11-4-2-1-3-10(11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-9,14H2
InChIKey
OJHPTRVTZGOWAO-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-2-morpholin-4-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
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 155.2
[M+Na]+ 263.09216 160.1
[M-H]- 239.09566 159.4
[M+NH4]+ 258.13676 169.9
[M+K]+ 279.06610 156.9
[M+H-H2O]+ 223.10020 147.5
[M+HCOO]- 285.10114 168.6
[M+CH3COO]- 299.11679 191.6
[M+Na-2H]- 261.07761 158.9
[M]+ 240.10239 151.9
[M]- 240.10349 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe