CID 227361

2-(2,3-dihydro-1h-inden-5-yl)acetic acid

Structural Information

Molecular Formula
C11H12O2
SMILES
C1CC2=C(C1)C=C(C=C2)CC(=O)O
InChI
InChI=1S/C11H12O2/c12-11(13)7-8-4-5-9-2-1-3-10(9)6-8/h4-6H,1-3,7H2,(H,12,13)
InChIKey
AVLCYTRBQULWGZ-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-inden-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

51
Patents

176.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 137.3
[M+Na]+ 199.072938 144.6
[M-H]- 175.076444 140.4
[M+NH4]+ 194.117543 159.6
[M+K]+ 215.046878 141.8
[M+H-H2O]+ 159.080980 132.3
[M+HCOO]- 221.081921 158.5
[M+CH3COO]- 235.097571 177.6
[M+Na-2H]- 197.058386 141.8
[M]+ 176.08317142 136.0
[M]- 176.08426858 136.0
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