CID 56828672

3',4'-dihydro-2'h-spiro[cyclopropane-1,1'-naphthalene]-3-carboxylic acid

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 144.6
[M+Na]+ 225.08860 153.5
[M-H]- 201.09210 150.5
[M+NH4]+ 220.13320 161.4
[M+K]+ 241.06254 150.2
[M+H-H2O]+ 185.09664 139.1
[M+HCOO]- 247.09758 162.9
[M+CH3COO]- 261.11323 156.8
[M+Na-2H]- 223.07405 151.3
[M]+ 202.09883 144.2
[M]- 202.09993 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