CID 43095

2-methyl-1-piperidinoacetylindoline

Structural Information

Molecular Formula
C16H22N2O
SMILES
CC1CC2=CC=CC=C2N1C(=O)CN3CCCCC3
InChI
InChI=1S/C16H22N2O/c1-13-11-14-7-3-4-8-15(14)18(13)16(19)12-17-9-5-2-6-10-17/h3-4,7-8,13H,2,5-6,9-12H2,1H3
InChIKey
KLRQEEOAFPCZJN-UHFFFAOYSA-N
Compound name
1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.17322 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 163.4
[M+Na]+ 281.16244 168.1
[M-H]- 257.16594 167.0
[M+NH4]+ 276.20704 179.9
[M+K]+ 297.13638 164.1
[M+H-H2O]+ 241.17048 154.4
[M+HCOO]- 303.17142 178.6
[M+CH3COO]- 317.18707 173.3
[M+Na-2H]- 279.14789 163.7
[M]+ 258.17267 158.6
[M]- 258.17377 158.6
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.