CID 16228668

923136-79-2

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2CNC3=CC=CC=C23
InChI
InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-10-8-13(9-11-20)15-12-19-16-7-5-4-6-14(15)16/h4-7,13,15,19H,8-12H2,1-3H3
InChIKey
TYJQMBWKHHMMRZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2,3-dihydro-1H-indol-3-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

302.19943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 176.4
[M+Na]+ 325.18865 180.3
[M-H]- 301.19215 178.7
[M+NH4]+ 320.23325 190.6
[M+K]+ 341.16259 176.1
[M+H-H2O]+ 285.19669 168.3
[M+HCOO]- 347.19763 188.0
[M+CH3COO]- 361.21328 200.5
[M+Na-2H]- 323.17410 176.4
[M]+ 302.19888 171.4
[M]- 302.19998 171.4
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