CID 56828672

1248314-77-3

Structural Information

Molecular Formula
C13H14O2
SMILES
C1CC2=CC=CC=C2C3(C1)CC3C(=O)O
InChI
InChI=1S/C13H14O2/c14-12(15)11-8-13(11)7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6,11H,3,5,7-8H2,(H,14,15)
InChIKey
WVRLFWFGLWUZBD-UHFFFAOYSA-N
Compound name
spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

202.09938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10666 147.4
[M+Na]+ 225.08860 161.3
[M+NH4]+ 220.13320 158.9
[M+K]+ 241.06254 154.0
[M-H]- 201.09210 157.6
[M+Na-2H]- 223.07405 157.0
[M]+ 202.09883 153.6
[M]- 202.09993 153.6
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