CID 72207793

1403767-24-7

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC2(CC2C1)N

InChI

InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-5-4-11(12)6-8(11)7-13/h8H,4-7,12H2,1-3H3

InChIKey

PKPGACTWHRGJHO-UHFFFAOYSA-N

Compound name

tert-butyl 6-amino-3-azabicyclo[4.1.0]heptane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.15248 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]+	213.15976	151.1
[M+Na]+	235.14170	161.0
[M+NH4]+	230.18630	160.3
[M+K]+	251.11564	156.6
[M-H]-	211.14520	158.2
[M+Na-2H]-	233.12715	157.4
[M]+	212.15193	155.6
[M]-	212.15303	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe