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]+ 245.164836 157.7
[M+Na]+ 267.146778 163.1
[M-H]- 243.150284 164.5
[M+NH4]+ 262.191383 172.4
[M+K]+ 283.120718 160.4
[M+H-H2O]+ 227.154820 148.3
[M+HCOO]- 289.155761 174.8
[M+CH3COO]- 303.171411 168.7
[M+Na-2H]- 265.132226 159.8
[M]+ 244.15701142 153.2
[M]- 244.15810858 153.2
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.