CID 165942538

Tert-butyl 1-[(dimethylamino)methyl]-2-azabicyclo[2.1.1]hexane-2-carboxylate

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CC1(C2)CN(C)C
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-10-6-13(15,7-10)9-14(4)5/h10H,6-9H2,1-5H3
InChIKey
NPOAGXYVRFNVPR-UHFFFAOYSA-N
Compound name
tert-butyl 1-[(dimethylamino)methyl]-2-azabicyclo[2.1.1]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 172.1
[M+Na]+ 263.17300 175.9
[M-H]- 239.17650 172.8
[M+NH4]+ 258.21760 191.4
[M+K]+ 279.14694 178.8
[M+H-H2O]+ 223.18104 164.4
[M+HCOO]- 285.18198 186.8
[M+CH3COO]- 299.19763 203.1
[M+Na-2H]- 261.15845 176.1
[M]+ 240.18323 187.2
[M]- 240.18433 187.2
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.