CID 126817297

Tert-butyl 7-amino-8,8-dimethyl-2-azabicyclo[4.2.0]octane-2-carboxylate

Structural Information

Molecular Formula
C14H26N2O2
SMILES
CC1(C(C2C1N(CCC2)C(=O)OC(C)(C)C)N)C
InChI
InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-8-6-7-9-10(15)14(4,5)11(9)16/h9-11H,6-8,15H2,1-5H3
InChIKey
HEUHOQCVKWMCEG-UHFFFAOYSA-N
Compound name
tert-butyl 7-amino-8,8-dimethyl-2-azabicyclo[4.2.0]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.19943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.206706 166.4
[M+Na]+ 277.188648 171.0
[M-H]- 253.192154 168.4
[M+NH4]+ 272.233253 178.7
[M+K]+ 293.162588 172.7
[M+H-H2O]+ 237.196690 156.2
[M+HCOO]- 299.197631 179.9
[M+CH3COO]- 313.213281 202.4
[M+Na-2H]- 275.174096 167.8
[M]+ 254.19888142 173.2
[M]- 254.19997858 173.2
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.