CID 22357444

185526-59-4

Structural Information

Molecular Formula
C14H16O
SMILES
C1CC2(CCC1=O)CCC3=CC=CC=C23
InChI
InChI=1S/C14H16O/c15-12-6-9-14(10-7-12)8-5-11-3-1-2-4-13(11)14/h1-4H,5-10H2
InChIKey
YKVYDPXSEBDAGJ-UHFFFAOYSA-N
Compound name
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

200.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.127396 145.6
[M+Na]+ 223.109338 152.5
[M-H]- 199.112844 151.7
[M+NH4]+ 218.153943 169.8
[M+K]+ 239.083278 148.3
[M+H-H2O]+ 183.117380 139.5
[M+HCOO]- 245.118321 165.3
[M+CH3COO]- 259.133971 158.4
[M+Na-2H]- 221.094786 150.7
[M]+ 200.11957142 140.5
[M]- 200.12066858 140.5
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