CID 11160049

4-(benzyloxy)-2,2-dimethylbutanal

Structural Information

Molecular Formula
C13H18O2
SMILES
CC(C)(CCOCC1=CC=CC=C1)C=O
InChI
InChI=1S/C13H18O2/c1-13(2,11-14)8-9-15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKey
UEJHLNXDINALPH-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-phenylmethoxybutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.13068 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 147.8
[M+Na]+ 229.119898 154.2
[M-H]- 205.123404 151.0
[M+NH4]+ 224.164503 166.8
[M+K]+ 245.093838 152.2
[M+H-H2O]+ 189.127940 141.9
[M+HCOO]- 251.128881 170.1
[M+CH3COO]- 265.144531 186.9
[M+Na-2H]- 227.105346 154.5
[M]+ 206.13013142 150.9
[M]- 206.13122858 150.9
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

No patent data available for this compound.