CID 59314089

1427501-68-5

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₂

SMILES

CCOC(=O)C1(CC2=C(C1)C=C(C=C2)Cl)N

InChI

InChI=1S/C12H14ClNO2/c1-2-16-11(15)12(14)6-8-3-4-10(13)5-9(8)7-12/h3-5H,2,6-7,14H2,1H3

InChIKey

YSKZOOQTXATSJP-UHFFFAOYSA-N

Compound name

ethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 239.0713 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]+	240.078576	152.1
[M+Na]+	262.060518	161.4
[M-H]-	238.064024	156.4
[M+NH4]+	257.105123	175.3
[M+K]+	278.034458	156.9
[M+H-H2O]+	222.068560	148.0
[M+HCOO]-	284.069501	170.4
[M+CH3COO]-	298.085151	191.3
[M+Na-2H]-	260.045966	155.9
[M]+	239.07075142	154.1
[M]-	239.07184858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe