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]+ 289.191056 165.9
[M+Na]+ 311.172998 167.8
[M-H]- 287.176504 164.2
[M+NH4]+ 306.217603 188.2
[M+K]+ 327.146938 164.3
[M+H-H2O]+ 271.181040 158.6
[M+HCOO]- 333.181981 177.6
[M+CH3COO]- 347.197631 173.9
[M+Na-2H]- 309.158446 177.0
[M]+ 288.18323142 164.8
[M]- 288.18432858 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.