CID 13840007

5-methoxy-2,3-dihydro-1h-indene-1-carboxylic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
COC1=CC2=C(C=C1)C(CC2)C(=O)O
InChI
InChI=1S/C11H12O3/c1-14-8-3-5-9-7(6-8)2-4-10(9)11(12)13/h3,5-6,10H,2,4H2,1H3,(H,12,13)
InChIKey
KWQZTFAAOCBAHM-UHFFFAOYSA-N
Compound name
5-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

192.07864 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 139.6
[M+Na]+ 215.06786 147.8
[M-H]- 191.07136 143.1
[M+NH4]+ 210.11246 161.5
[M+K]+ 231.04180 145.5
[M+H-H2O]+ 175.07590 134.8
[M+HCOO]- 237.07684 161.1
[M+CH3COO]- 251.09249 180.9
[M+Na-2H]- 213.05331 143.6
[M]+ 192.07809 140.3
[M]- 192.07919 140.3
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

patents stripe