CID 75481760

1622903-52-9

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CC2CC2(C1)C=O

InChI

InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-5-8-4-11(8,6-12)7-13/h7-8H,4-6H2,1-3H3

InChIKey

PUTOENHGHDTSSY-UHFFFAOYSA-N

Compound name

tert-butyl 1-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 211.12085 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.12813	153.4
[M+Na]+	234.11007	163.2
[M-H]-	210.11357	157.4
[M+NH4]+	229.15467	171.0
[M+K]+	250.08401	161.1
[M+H-H2O]+	194.11811	149.1
[M+HCOO]-	256.11905	171.5
[M+CH3COO]-	270.13470	188.1
[M+Na-2H]-	232.09552	158.1
[M]+	211.12030	158.5
[M]-	211.12140	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe