CID 91902612

1992978-79-6

Structural Information

Molecular Formula

C₁₁H₁₇NO₅

SMILES

CC(C)(C)OC(=O)N1CCOC2C1C2C(=O)O

InChI

InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-4-5-16-8-6(7(8)12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)

InChIKey

LNBOSRZHKZRHKJ-UHFFFAOYSA-N

Compound name

5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azabicyclo[4.1.0]heptane-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.11067 Da
Monoisotopic Mass: 0.2
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	157.1
[M+Na]+	266.099888	165.5
[M-H]-	242.103394	160.3
[M+NH4]+	261.144493	168.0
[M+K]+	282.073828	164.4
[M+H-H2O]+	226.107930	151.3
[M+HCOO]-	288.108871	170.7
[M+CH3COO]-	302.124521	192.8
[M+Na-2H]-	264.085336	161.0
[M]+	243.11012142	161.5
[M]-	243.11121858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.