CID 117045486

Tert-butyl 6-formyl-3-azabicyclo[4.1.0]heptane-3-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC2C1)C=O
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-5-4-12(8-14)6-9(12)7-13/h8-9H,4-7H2,1-3H3
InChIKey
KGJHQMJLVNVIHF-UHFFFAOYSA-N
Compound name
tert-butyl 6-formyl-3-azabicyclo[4.1.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 158.5
[M+Na]+ 248.12571 167.0
[M-H]- 224.12921 162.0
[M+NH4]+ 243.17031 173.7
[M+K]+ 264.09965 165.2
[M+H-H2O]+ 208.13375 153.3
[M+HCOO]- 270.13469 174.4
[M+CH3COO]- 284.15034 191.3
[M+Na-2H]- 246.11116 163.7
[M]+ 225.13594 162.0
[M]- 225.13704 162.0
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.