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

27
Patents

200.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.12740 145.6
[M+Na]+ 223.10934 152.5
[M-H]- 199.11284 151.7
[M+NH4]+ 218.15394 169.8
[M+K]+ 239.08328 148.3
[M+H-H2O]+ 183.11738 139.5
[M+HCOO]- 245.11832 165.3
[M+CH3COO]- 259.13397 158.4
[M+Na-2H]- 221.09479 150.7
[M]+ 200.11957 140.5
[M]- 200.12067 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