CID 41913

1-piperidinoacetylindoline

Structural Information

Molecular Formula
C15H20N2O
SMILES
C1CCN(CC1)CC(=O)N2CCC3=CC=CC=C32
InChI
InChI=1S/C15H20N2O/c18-15(12-16-9-4-1-5-10-16)17-11-8-13-6-2-3-7-14(13)17/h2-3,6-7H,1,4-5,8-12H2
InChIKey
FAHNWKWJOSXJNE-UHFFFAOYSA-N
Compound name
1-(2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6
Patents

244.15756 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 158.7
[M+Na]+ 267.14678 162.9
[M-H]- 243.15028 162.0
[M+NH4]+ 262.19138 175.4
[M+K]+ 283.12072 159.1
[M+H-H2O]+ 227.15482 149.6
[M+HCOO]- 289.15576 174.2
[M+CH3COO]- 303.17141 168.7
[M+Na-2H]- 265.13223 160.3
[M]+ 244.15701 153.2
[M]- 244.15811 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

literature stripe

Patent stripe

patents stripe