CID 561179

1,3-dioxolane, 2,2,4-trimethyl-5-(phenylmethoxy)methyl-, cis-

Structural Information

Molecular Formula
C14H20O3
SMILES
CC1C(OC(O1)(C)C)COCC2=CC=CC=C2
InChI
InChI=1S/C14H20O3/c1-11-13(17-14(2,3)16-11)10-15-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3
InChIKey
DUZGYPMPHGHLIH-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

236.14125 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14853 152.7
[M+Na]+ 259.13047 160.2
[M-H]- 235.13397 160.8
[M+NH4]+ 254.17507 171.9
[M+K]+ 275.10441 160.6
[M+H-H2O]+ 219.13851 147.3
[M+HCOO]- 281.13945 173.9
[M+CH3COO]- 295.15510 190.6
[M+Na-2H]- 257.11592 158.0
[M]+ 236.14070 156.4
[M]- 236.14180 156.4
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