CID 145867290

2361822-74-2

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)NCC12CCC(CC1)NC2
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-13-6-4-10(5-7-13)14-8-13/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKey
XNDQVHZEGJGSJQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-azabicyclo[2.2.2]octan-4-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.18378 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 161.5
[M+Na]+ 263.17300 163.4
[M-H]- 239.17650 154.6
[M+NH4]+ 258.21760 183.1
[M+K]+ 279.14694 161.4
[M+H-H2O]+ 223.18104 156.8
[M+HCOO]- 285.18198 168.3
[M+CH3COO]- 299.19763 195.4
[M+Na-2H]- 261.15845 172.2
[M]+ 240.18323 161.0
[M]- 240.18433 161.0
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