CID 15712224

64859-36-5

Structural Information

Molecular Formula
C11H14O2
SMILES
CC(C)(C)OC1=CC=CC(=C1)C=O
InChI
InChI=1S/C11H14O2/c1-11(2,3)13-10-6-4-5-9(7-10)8-12/h4-8H,1-3H3
InChIKey
SKELHDLJYLXUSL-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

178.09938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 137.6
[M+Na]+ 201.08860 146.0
[M-H]- 177.09210 141.7
[M+NH4]+ 196.13320 158.2
[M+K]+ 217.06254 144.5
[M+H-H2O]+ 161.09664 132.5
[M+HCOO]- 223.09758 160.7
[M+CH3COO]- 237.11323 181.3
[M+Na-2H]- 199.07405 144.9
[M]+ 178.09883 140.3
[M]- 178.09993 140.3
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

patents stripe