CID 57443998

917391-08-3

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

CCOC(=O)CC1(CC2=CC=CC=C2C1)N

InChI

InChI=1S/C13H17NO2/c1-2-16-12(15)9-13(14)7-10-5-3-4-6-11(10)8-13/h3-6H,2,7-9,14H2,1H3

InChIKey

YGCOFXRMEAUBGS-UHFFFAOYSA-N

Compound name

ethyl 2-(2-amino-1,3-dihydroinden-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 219.12593 Da
Monoisotopic Mass: 1.9
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]+	220.133206	150.3
[M+Na]+	242.115148	157.4
[M-H]-	218.118654	154.2
[M+NH4]+	237.159753	173.1
[M+K]+	258.089088	154.6
[M+H-H2O]+	202.123190	144.9
[M+HCOO]-	264.124131	172.8
[M+CH3COO]-	278.139781	189.3
[M+Na-2H]-	240.100596	154.7
[M]+	219.12538142	150.1
[M]-	219.12647858	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe