CID 3085718

P-tert-butylphenoxyacetaldehyde dimethyl acetal

Structural Information

Molecular Formula
C14H22O3
SMILES
CC(C)(C)C1=CC=C(C=C1)OCC(OC)OC
InChI
InChI=1S/C14H22O3/c1-14(2,3)11-6-8-12(9-7-11)17-10-13(15-4)16-5/h6-9,13H,10H2,1-5H3
InChIKey
RMRIGZDUZFDJNP-UHFFFAOYSA-N
Compound name
1-tert-butyl-4-(2,2-dimethoxyethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

238.15689 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.16417 156.4
[M+Na]+ 261.14611 162.8
[M-H]- 237.14961 159.9
[M+NH4]+ 256.19071 174.5
[M+K]+ 277.12005 162.2
[M+H-H2O]+ 221.15415 150.3
[M+HCOO]- 283.15509 177.5
[M+CH3COO]- 297.17074 194.1
[M+Na-2H]- 259.13156 160.8
[M]+ 238.15634 161.7
[M]- 238.15744 161.7
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