CID 130407392

Schembl19330760

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

COC(=O)C1=C(C2=C(CCC2)C=C1)O

InChI

InChI=1S/C11H12O3/c1-14-11(13)9-6-5-7-3-2-4-8(7)10(9)12/h5-6,12H,2-4H2,1H3

InChIKey

CAMYJVDAYNICEQ-UHFFFAOYSA-N

Compound name

methyl 4-hydroxy-2,3-dihydro-1H-indene-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 192.07864 Da
Monoisotopic Mass: 2.8
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]+	193.085916	139.8
[M+Na]+	215.067858	148.1
[M-H]-	191.071364	143.4
[M+NH4]+	210.112463	161.9
[M+K]+	231.041798	145.8
[M+H-H2O]+	175.075900	135.0
[M+HCOO]-	237.076841	161.3
[M+CH3COO]-	251.092491	180.2
[M+Na-2H]-	213.053306	143.8
[M]+	192.07809142	140.4
[M]-	192.07918858	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe