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

27
Patents

222.1256 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.132876 145.4
[M+Na]+ 245.114818 154.9
[M-H]- 221.118324 153.1
[M+NH4]+ 240.159423 166.9
[M+K]+ 261.088758 154.9
[M+H-H2O]+ 205.122860 141.6
[M+HCOO]- 267.123801 165.5
[M+CH3COO]- 281.139451 186.1
[M+Na-2H]- 243.100266 151.8
[M]+ 222.12505142 147.9
[M]- 222.12614858 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