CID 4405528

4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenol

Structural Information

Molecular Formula
C13H18O3
SMILES
CC1(C(OC(O1)C2=CC=C(C=C2)O)(C)C)C
InChI
InChI=1S/C13H18O3/c1-12(2)13(3,4)16-11(15-12)9-5-7-10(14)8-6-9/h5-8,11,14H,1-4H3
InChIKey
RNLYGUMQOHUNEO-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

222.1256 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13288 145.4
[M+Na]+ 245.11482 154.9
[M-H]- 221.11832 153.1
[M+NH4]+ 240.15942 166.9
[M+K]+ 261.08876 154.9
[M+H-H2O]+ 205.12286 141.6
[M+HCOO]- 267.12380 165.5
[M+CH3COO]- 281.13945 186.1
[M+Na-2H]- 243.10027 151.8
[M]+ 222.12505 147.9
[M]- 222.12615 147.9
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