CID 146329

Sdz 51641

Structural Information

Molecular Formula
C14H20O2
SMILES
CC1=CC=C(C=C1)C2(OCCO2)C(C)(C)C
InChI
InChI=1S/C14H20O2/c1-11-5-7-12(8-6-11)14(13(2,3)4)15-9-10-16-14/h5-8H,9-10H2,1-4H3
InChIKey
KONLOUNOGLJAIE-UHFFFAOYSA-N
Compound name
2-tert-butyl-2-(4-methylphenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

13
Patents

220.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 149.2
[M+Na]+ 243.135548 156.4
[M-H]- 219.139054 157.2
[M+NH4]+ 238.180153 169.0
[M+K]+ 259.109488 156.8
[M+H-H2O]+ 203.143590 144.5
[M+HCOO]- 265.144531 168.7
[M+CH3COO]- 279.160181 187.2
[M+Na-2H]- 241.120996 156.1
[M]+ 220.14578142 150.6
[M]- 220.14687858 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe