CID 71305962

1330763-18-2

Structural Information

Molecular Formula

C₁₁H₁₇NO₅

SMILES

CC(C)(C)OC(=O)N1CC2(CC1CO2)C(=O)O

InChI

InChI=1S/C11H17NO5/c1-10(2,3)17-9(15)12-6-11(8(13)14)4-7(12)5-16-11/h7H,4-6H2,1-3H3,(H,13,14)

InChIKey

GJLSXXFQRXNEFA-UHFFFAOYSA-N

Compound name

5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 243.11067 Da
Monoisotopic Mass: 0.4
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]+	244.117946	154.5
[M+Na]+	266.099888	161.2
[M-H]-	242.103394	155.4
[M+NH4]+	261.144493	175.8
[M+K]+	282.073828	162.1
[M+H-H2O]+	226.107930	151.7
[M+HCOO]-	288.108871	169.2
[M+CH3COO]-	302.124521	187.0
[M+Na-2H]-	264.085336	158.4
[M]+	243.11012142	157.0
[M]-	243.11121858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe