CID 165783365

Tert-butyl 1-formyl-5-methyl-3-azabicyclo[3.1.1]heptane-3-carboxylate

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC12CC(C1)(CN(C2)C(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C13H21NO3/c1-11(2,3)17-10(16)14-7-12(4)5-13(6-12,8-14)9-15/h9H,5-8H2,1-4H3
InChIKey
KIYAEAVAHBOPHV-UHFFFAOYSA-N
Compound name
tert-butyl 1-formyl-5-methyl-3-azabicyclo[3.1.1]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 172.3
[M+Na]+ 262.14137 177.3
[M-H]- 238.14487 169.9
[M+NH4]+ 257.18597 190.3
[M+K]+ 278.11531 178.9
[M+H-H2O]+ 222.14941 164.1
[M+HCOO]- 284.15035 181.3
[M+CH3COO]- 298.16600 198.0
[M+Na-2H]- 260.12682 181.3
[M]+ 239.15160 185.9
[M]- 239.15270 185.9
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.