CID 3044360

57144-89-5

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1CC2=C(C1)C=C(C=C2)CC(=O)O
InChI
InChI=1S/C12H14O2/c1-8-4-10-3-2-9(7-12(13)14)6-11(10)5-8/h2-3,6,8H,4-5,7H2,1H3,(H,13,14)
InChIKey
SEWYKXUDXKEOBR-UHFFFAOYSA-N
Compound name
2-(2-methyl-2,3-dihydro-1H-inden-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

190.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 141.3
[M+Na]+ 213.08860 152.7
[M+NH4]+ 208.13320 150.2
[M+K]+ 229.06254 148.3
[M-H]- 189.09210 142.8
[M+Na-2H]- 211.07405 145.6
[M]+ 190.09883 143.2
[M]- 190.09993 143.2
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