CID 137949923

2172158-53-9

Structural Information

Molecular Formula

C₁₄H₁₉NO₅

SMILES

CC(C)(C)OC(=O)N1CCCC2=C(C1)C=C(O2)C(=O)O

InChI

InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-6-4-5-10-9(8-15)7-11(19-10)12(16)17/h7H,4-6,8H2,1-3H3,(H,16,17)

InChIKey

WDVVOFQWNNNNMR-UHFFFAOYSA-N

Compound name

5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6,7,8-tetrahydrofuro[3,2-c]azepine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.1263 Da
Monoisotopic Mass: 2.0
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]+	282.133576	158.6
[M+Na]+	304.115518	163.3
[M-H]-	280.119024	162.4
[M+NH4]+	299.160123	173.2
[M+K]+	320.089458	167.3
[M+H-H2O]+	264.123560	153.5
[M+HCOO]-	326.124501	173.1
[M+CH3COO]-	340.140151	196.8
[M+Na-2H]-	302.100966	161.0
[M]+	281.12575142	157.7
[M]-	281.12684858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.