CID 11550404

Schembl4762433

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1CN2CCC1(CC2)C(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H18N2O/c15-12-3-1-11(2-4-12)13(17)14-5-8-16(9-6-14)10-7-14/h1-4H,5-10,15H2
InChIKey
DDTQTQGMFGFIEJ-UHFFFAOYSA-N
Compound name
(4-aminophenyl)-(1-azabicyclo[2.2.2]octan-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

230.1419 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 151.2
[M+Na]+ 253.13112 154.7
[M-H]- 229.13462 148.9
[M+NH4]+ 248.17572 173.1
[M+K]+ 269.10506 151.1
[M+H-H2O]+ 213.13916 143.9
[M+HCOO]- 275.14010 161.6
[M+CH3COO]- 289.15575 160.4
[M+Na-2H]- 251.11657 161.6
[M]+ 230.14135 148.9
[M]- 230.14245 148.9
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