CID 624073

Butylaldehyde, 4-benzyloxy-4-[2,2,-dimethyl-4-dioxolanyl]-

Structural Information

Molecular Formula
C16H22O4
SMILES
CC1(OCC(O1)C(CCC=O)OCC2=CC=CC=C2)C
InChI
InChI=1S/C16H22O4/c1-16(2)19-12-15(20-16)14(9-6-10-17)18-11-13-7-4-3-5-8-13/h3-5,7-8,10,14-15H,6,9,11-12H2,1-2H3
InChIKey
YQTRTFZBIHJZQB-UHFFFAOYSA-N
Compound name
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-phenylmethoxybutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1518 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.159076 165.2
[M+Na]+ 301.141018 170.7
[M-H]- 277.144524 172.5
[M+NH4]+ 296.185623 182.0
[M+K]+ 317.114958 171.1
[M+H-H2O]+ 261.149060 159.1
[M+HCOO]- 323.150001 185.0
[M+CH3COO]- 337.165651 197.6
[M+Na-2H]- 299.126466 168.9
[M]+ 278.15125142 169.3
[M]- 278.15234858 169.3
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

No patent data available for this compound.