CID 10036678

1251004-87-1

Structural Information

Molecular Formula

C₁₁H₁₇NO₄

SMILES

CC(C)(C)OC(=O)N1CCC2C1(C2)C(=O)O

InChI

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

InChIKey

ALUFNEQAPCLIBB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 227.11575 Da
Monoisotopic Mass: 1.1
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]+	228.12303	154.9
[M+Na]+	250.10497	163.9
[M-H]-	226.10847	157.5
[M+NH4]+	245.14957	171.0
[M+K]+	266.07891	161.7
[M+H-H2O]+	210.11301	151.2
[M+HCOO]-	272.11395	170.8
[M+CH3COO]-	286.12960	188.5
[M+Na-2H]-	248.09042	158.4
[M]+	227.11520	159.2
[M]-	227.11630	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe