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]+ 226.143766 158.5
[M+Na]+ 248.125708 167.0
[M-H]- 224.129214 162.0
[M+NH4]+ 243.170313 173.7
[M+K]+ 264.099648 165.2
[M+H-H2O]+ 208.133750 153.3
[M+HCOO]- 270.134691 174.4
[M+CH3COO]- 284.150341 191.3
[M+Na-2H]- 246.111156 163.7
[M]+ 225.13594142 162.0
[M]- 225.13703858 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.