CID 167737845

Rac-tert-butyl (1r,6s,7r)-7-formyl-3-azabicyclo[4.1.0]heptane-3-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C=O
InChI
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-5-4-8-9(6-13)10(8)7-14/h7-10H,4-6H2,1-3H3/t8-,9+,10+/m0/s1
InChIKey
AWGQGDHHTFDEBN-IVZWLZJFSA-N
Compound name
tert-butyl (1R,6S,7R)-7-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

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 152.9
[M+Na]+ 248.12571 163.9
[M+NH4]+ 243.17031 160.4
[M+K]+ 264.09965 160.9
[M-H]- 224.12921 159.1
[M+Na-2H]- 246.11116 157.4
[M]+ 225.13594 157.2
[M]- 225.13704 157.2
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.