CID 96581901

2173996-97-7

Structural Information

Molecular Formula

C₁₁H₁₇NO₄

SMILES

CC(C)(C)OC(=O)N1CC[C@]2([C@@H]1C2)C(=O)O

InChI

InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-5-4-11(8(13)14)6-7(11)12/h7H,4-6H2,1-3H3,(H,13,14)/t7-,11-/m0/s1

InChIKey

VWXMXVVMJQHITP-CPCISQLKSA-N

Compound name

(1S,5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.11575 Da
Monoisotopic Mass: 0.8
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]+	228.123026	154.9
[M+Na]+	250.104968	163.9
[M-H]-	226.108474	157.5
[M+NH4]+	245.149573	171.0
[M+K]+	266.078908	161.7
[M+H-H2O]+	210.113010	151.2
[M+HCOO]-	272.113951	170.8
[M+CH3COO]-	286.129601	188.5
[M+Na-2H]-	248.090416	158.4
[M]+	227.11520142	159.2
[M]-	227.11629858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.