CID 362166

Nsc625744

Structural Information

Molecular Formula
C18H24O4
SMILES
CC(C)(C)OC1=C(C(C1=O)(C2=CC=CC=C2)O)OC(C)(C)C
InChI
InChI=1S/C18H24O4/c1-16(2,3)21-13-14(19)18(20,12-10-8-7-9-11-12)15(13)22-17(4,5)6/h7-11,20H,1-6H3
InChIKey
ZWAPHUMOPRVZID-UHFFFAOYSA-N
Compound name
4-hydroxy-2,3-bis[(2-methylpropan-2-yl)oxy]-4-phenylcyclobut-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.16745 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17473 171.9
[M+Na]+ 327.15667 178.7
[M-H]- 303.16017 177.8
[M+NH4]+ 322.20127 182.5
[M+K]+ 343.13061 179.8
[M+H-H2O]+ 287.16471 162.0
[M+HCOO]- 349.16565 189.4
[M+CH3COO]- 363.18130 206.2
[M+Na-2H]- 325.14212 176.5
[M]+ 304.16690 185.6
[M]- 304.16800 185.6
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.