CID 54691194

1-oxaspiro[4,4]non-3-en-2-one, 3-(cyclopropylphenylmethyl)-4-hydroxy-

Structural Information

Molecular Formula
C18H20O3
SMILES
C1CCC2(C1)C(=C(C(=O)O2)C(C3CC3)C4=CC=CC=C4)O
InChI
InChI=1S/C18H20O3/c19-16-15(17(20)21-18(16)10-4-5-11-18)14(13-8-9-13)12-6-2-1-3-7-12/h1-3,6-7,13-14,19H,4-5,8-11H2
InChIKey
FCOXVMHUXGQVFB-UHFFFAOYSA-N
Compound name
3-[cyclopropyl(phenyl)methyl]-4-hydroxy-1-oxaspiro[4.4]non-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.14124 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14852 159.9
[M+Na]+ 307.13046 167.7
[M-H]- 283.13396 171.6
[M+NH4]+ 302.17506 174.3
[M+K]+ 323.10440 164.9
[M+H-H2O]+ 267.13850 155.0
[M+HCOO]- 329.13944 178.8
[M+CH3COO]- 343.15509 171.9
[M+Na-2H]- 305.11591 160.7
[M]+ 284.14069 160.3
[M]- 284.14179 160.3
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.