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]+ 207.13796 147.8
[M+Na]+ 229.11990 154.2
[M-H]- 205.12340 151.0
[M+NH4]+ 224.16450 166.8
[M+K]+ 245.09384 152.2
[M+H-H2O]+ 189.12794 141.9
[M+HCOO]- 251.12888 170.1
[M+CH3COO]- 265.14453 186.9
[M+Na-2H]- 227.10535 154.5
[M]+ 206.13013 150.9
[M]- 206.13123 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.