CID 117587524

2227272-82-2

Structural Information

Molecular Formula
C17H24N2O2
SMILES
C1CC2(CCC1(CC2)CN)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C17H24N2O2/c18-13-16-6-9-17(10-7-16,11-8-16)19-15(20)21-12-14-4-2-1-3-5-14/h1-5H,6-13,18H2,(H,19,20)
InChIKey
NFLAETFCSQPFJW-UHFFFAOYSA-N
Compound name
benzyl N-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18378 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 165.9
[M+Na]+ 311.17300 167.8
[M-H]- 287.17650 164.2
[M+NH4]+ 306.21760 188.2
[M+K]+ 327.14694 164.3
[M+H-H2O]+ 271.18104 158.6
[M+HCOO]- 333.18198 177.6
[M+CH3COO]- 347.19763 173.9
[M+Na-2H]- 309.15845 177.0
[M]+ 288.18323 164.8
[M]- 288.18433 164.8
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.