CID 165942538

2680533-95-1

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]+ 241.191056 172.1
[M+Na]+ 263.172998 175.9
[M-H]- 239.176504 172.8
[M+NH4]+ 258.217603 191.4
[M+K]+ 279.146938 178.8
[M+H-H2O]+ 223.181040 164.4
[M+HCOO]- 285.181981 186.8
[M+CH3COO]- 299.197631 203.1
[M+Na-2H]- 261.158446 176.1
[M]+ 240.18323142 187.2
[M]- 240.18432858 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.