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

17
Patents

202.09938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.106656 144.6
[M+Na]+ 225.088598 153.5
[M-H]- 201.092104 150.5
[M+NH4]+ 220.133203 161.4
[M+K]+ 241.062538 150.2
[M+H-H2O]+ 185.096640 139.1
[M+HCOO]- 247.097581 162.9
[M+CH3COO]- 261.113231 156.8
[M+Na-2H]- 223.074046 151.3
[M]+ 202.09883142 144.2
[M]- 202.09992858 144.2
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