CID 71306057

1251012-82-4

Structural Information

Molecular Formula

C₁₁H₁₇NO₄

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CC2C(=O)O

InChI

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

InChIKey

YHMUQYORLLKZHP-UHFFFAOYSA-N

Compound name

5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.3]hexane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 227.11575 Da
Monoisotopic Mass: 0.7
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	157.5
[M+Na]+	250.10497	162.9
[M+NH4]+	245.14957	161.1
[M+K]+	266.07891	161.7
[M-H]-	226.10847	159.9
[M+Na-2H]-	248.09042	160.4
[M]+	227.11520	158.8
[M]-	227.11630	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe