CID 121229827

1445951-23-4

Structural Information

Molecular Formula

C₁₂H₁₅NO₅

SMILES

CC(C)(C)OC(=O)N1CC2=C(C1)OC=C2C(=O)O

InChI

InChI=1S/C12H15NO5/c1-12(2,3)18-11(16)13-4-7-8(10(14)15)6-17-9(7)5-13/h6H,4-5H2,1-3H3,(H,14,15)

InChIKey

KOZVDZLFKDTGGX-UHFFFAOYSA-N

Compound name

5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.09502 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]+	254.102296	156.1
[M+Na]+	276.084238	163.8
[M-H]-	252.087744	159.2
[M+NH4]+	271.128843	174.7
[M+K]+	292.058178	164.2
[M+H-H2O]+	236.092280	151.9
[M+HCOO]-	298.093221	173.7
[M+CH3COO]-	312.108871	189.7
[M+Na-2H]-	274.069686	158.1
[M]+	253.09447142	159.8
[M]-	253.09556858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.