CID 177800826

2-tert-butyl 4-methyl 1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2,4-dicarboxylate

Structural Information

Molecular Formula
C14H24N2O4
SMILES
CC(C)(C)OC(=O)N1CC2(CCC1(C2)CN)C(=O)OC
InChI
InChI=1S/C14H24N2O4/c1-12(2,3)20-11(18)16-9-13(10(17)19-4)5-6-14(16,7-13)8-15/h5-9,15H2,1-4H3
InChIKey
DHTJIPXERYAUNA-UHFFFAOYSA-N
Compound name
2-O-tert-butyl 4-O-methyl 1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1736 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.180876 168.2
[M+Na]+ 307.162818 174.2
[M-H]- 283.166324 169.0
[M+NH4]+ 302.207423 191.3
[M+K]+ 323.136758 173.6
[M+H-H2O]+ 267.170860 165.1
[M+HCOO]- 329.171801 184.5
[M+CH3COO]- 343.187451 199.5
[M+Na-2H]- 305.148266 171.1
[M]+ 284.17305142 170.1
[M]- 284.17414858 170.1
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.