CID 165841367

Rac-tert-butyl (1r,5s)-1-formyl-2-azabicyclo[3.1.0]hexane-2-carboxylate

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)N1CC[C@H]2[C@@]1(C2)C=O
InChI
InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-5-4-8-6-11(8,12)7-13/h7-8H,4-6H2,1-3H3/t8-,11-/m1/s1
InChIKey
SVWPBXYRKZHISZ-LDYMZIIASA-N
Compound name
tert-butyl (1S,5R)-1-formyl-2-azabicyclo[3.1.0]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.12085 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 153.4
[M+Na]+ 234.110068 163.2
[M-H]- 210.113574 157.4
[M+NH4]+ 229.154673 171.0
[M+K]+ 250.084008 161.1
[M+H-H2O]+ 194.118110 149.1
[M+HCOO]- 256.119051 171.5
[M+CH3COO]- 270.134701 188.1
[M+Na-2H]- 232.095516 158.1
[M]+ 211.12030142 158.5
[M]- 211.12139858 158.5
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.