CID 126817297

2094316-70-6

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]+ 255.20671 166.4
[M+Na]+ 277.18865 171.0
[M-H]- 253.19215 168.4
[M+NH4]+ 272.23325 178.7
[M+K]+ 293.16259 172.7
[M+H-H2O]+ 237.19669 156.2
[M+HCOO]- 299.19763 179.9
[M+CH3COO]- 313.21328 202.4
[M+Na-2H]- 275.17410 167.8
[M]+ 254.19888 173.2
[M]- 254.19998 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.