CID 3047141

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

Structural Information

Molecular Formula
C11H12O3
SMILES
COC1=CC2=C(CCC2C(=O)O)C=C1
InChI
InChI=1S/C11H12O3/c1-14-8-4-2-7-3-5-9(11(12)13)10(7)6-8/h2,4,6,9H,3,5H2,1H3,(H,12,13)
InChIKey
NYAXSJZIUOHLMW-UHFFFAOYSA-N
Compound name
6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
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

literature stripe

Patent stripe

patents stripe