CID 83907143

1557699-49-6

Structural Information

Molecular Formula
C12H12O2
SMILES
C1CC2(C1)COC3=CC=CC=C3C2=O
InChI
InChI=1S/C12H12O2/c13-11-9-4-1-2-5-10(9)14-8-12(11)6-3-7-12/h1-2,4-5H,3,6-8H2
InChIKey
OXTXVDWZAGAPLO-UHFFFAOYSA-N
Compound name
spiro[2H-chromene-3,1'-cyclobutane]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.08372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09100 131.0
[M+Na]+ 211.07294 138.2
[M-H]- 187.07644 138.3
[M+NH4]+ 206.11754 146.4
[M+K]+ 227.04688 139.7
[M+H-H2O]+ 171.08098 120.8
[M+HCOO]- 233.08192 149.9
[M+CH3COO]- 247.09757 184.4
[M+Na-2H]- 209.05839 140.7
[M]+ 188.08317 138.1
[M]- 188.08427 138.1
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

No patent data available for this compound.