CID 3039628

50901-95-6

Structural Information

Molecular Formula
C15H20N2O
SMILES
CC1C(CC(=N1)N2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C15H20N2O/c1-12-14(13-5-3-2-4-6-13)11-15(16-12)17-7-9-18-10-8-17/h2-6,12,14H,7-11H2,1H3
InChIKey
KBPPQMHSTCMNGW-UHFFFAOYSA-N
Compound name
4-(2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 158.6
[M+Na]+ 267.14678 171.9
[M+NH4]+ 262.19138 167.4
[M+K]+ 283.12072 166.3
[M-H]- 243.15028 165.0
[M+Na-2H]- 265.13223 166.3
[M]+ 244.15701 162.3
[M]- 244.15811 162.3
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.