CID 137698557

3-(3-tert-butyl-4-methoxyphenyl)-2-methylpropanal

Structural Information

Molecular Formula
C15H22O2
SMILES
CC(CC1=CC(=C(C=C1)OC)C(C)(C)C)C=O
InChI
InChI=1S/C15H22O2/c1-11(10-16)8-12-6-7-14(17-5)13(9-12)15(2,3)4/h6-7,9-11H,8H2,1-5H3
InChIKey
RPMAKFMKMMNPEX-UHFFFAOYSA-N
Compound name
3-(3-tert-butyl-4-methoxyphenyl)-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 155.0
[M+Na]+ 257.15121 162.3
[M-H]- 233.15471 158.8
[M+NH4]+ 252.19581 173.6
[M+K]+ 273.12515 160.4
[M+H-H2O]+ 217.15925 149.4
[M+HCOO]- 279.16019 175.7
[M+CH3COO]- 293.17584 195.4
[M+Na-2H]- 255.13666 158.3
[M]+ 234.16144 159.0
[M]- 234.16254 159.0
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.