CID 18524

Isoindoline, 2-(3-morpholinopropyl)-

Structural Information

Molecular Formula
C15H22N2O
SMILES
C1COCCN1CCCN2CC3=CC=CC=C3C2
InChI
InChI=1S/C15H22N2O/c1-2-5-15-13-17(12-14(15)4-1)7-3-6-16-8-10-18-11-9-16/h1-2,4-5H,3,6-13H2
InChIKey
USNNBKXIDYBFJT-UHFFFAOYSA-N
Compound name
4-[3-(1,3-dihydroisoindol-2-yl)propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 158.6
[M+Na]+ 269.16244 163.0
[M-H]- 245.16594 162.4
[M+NH4]+ 264.20704 174.1
[M+K]+ 285.13638 160.2
[M+H-H2O]+ 229.17048 149.4
[M+HCOO]- 291.17142 174.0
[M+CH3COO]- 305.18707 168.8
[M+Na-2H]- 267.14789 161.9
[M]+ 246.17267 155.1
[M]- 246.17377 155.1
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

patents stripe