CID 21573420

635318-61-5

Structural Information

Molecular Formula

C₁₁H₁₆O₄

SMILES

CC(C)(C)OC(=O)C1(CC=CC1)C(=O)O

InChI

InChI=1S/C11H16O4/c1-10(2,3)15-9(14)11(8(12)13)6-4-5-7-11/h4-5H,6-7H2,1-3H3,(H,12,13)

InChIKey

RZAVTKUGXSBXKP-UHFFFAOYSA-N

Compound name

1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopent-3-ene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 212.10486 Da
Monoisotopic Mass: 1.8
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]+	213.11214	147.6
[M+Na]+	235.09408	154.9
[M+NH4]+	230.13868	154.9
[M+K]+	251.06802	152.3
[M-H]-	211.09758	145.6
[M+Na-2H]-	233.07953	151.2
[M]+	212.10431	147.8
[M]-	212.10541	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe