CID 131346319

2091362-20-6

Structural Information

Molecular Formula
C12H14O3
SMILES
COC(=O)C1=CC2=C(C=C1)C(CC2)CO
InChI
InChI=1S/C12H14O3/c1-15-12(14)9-4-5-11-8(6-9)2-3-10(11)7-13/h4-6,10,13H,2-3,7H2,1H3
InChIKey
TXMPLJRXZNYTKV-UHFFFAOYSA-N
Compound name
methyl 1-(hydroxymethyl)-2,3-dihydro-1H-indene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 144.6
[M+Na]+ 229.08352 152.4
[M-H]- 205.08702 148.0
[M+NH4]+ 224.12812 166.0
[M+K]+ 245.05746 149.9
[M+H-H2O]+ 189.09156 139.6
[M+HCOO]- 251.09250 165.7
[M+CH3COO]- 265.10815 183.2
[M+Na-2H]- 227.06897 148.0
[M]+ 206.09375 145.5
[M]- 206.09485 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.