CID 108455

Einecs 302-095-7

Structural Information

Molecular Formula
C14H14O2
SMILES
CC1(C(C12C=CC3=CC=CC=C23)C(=O)O)C
InChI
InChI=1S/C14H14O2/c1-13(2)11(12(15)16)14(13)8-7-9-5-3-4-6-10(9)14/h3-8,11H,1-2H3,(H,15,16)
InChIKey
RXTAQAPVUFGHOU-UHFFFAOYSA-N
Compound name
2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

214.09938 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 150.6
[M+Na]+ 237.08860 164.7
[M+NH4]+ 232.13320 163.2
[M+K]+ 253.06254 157.6
[M-H]- 213.09210 160.5
[M+Na-2H]- 235.07405 161.2
[M]+ 214.09883 157.0
[M]- 214.09993 157.0
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