CID 3762438

571153-23-6

Structural Information

Molecular Formula
C17H17NO4
SMILES
CC1=CC(=C(C=C1)C(C)C)OC2=C(C=C(C=C2)C=O)[N+](=O)[O-]
InChI
InChI=1S/C17H17NO4/c1-11(2)14-6-4-12(3)8-17(14)22-16-7-5-13(10-19)9-15(16)18(20)21/h4-11H,1-3H3
InChIKey
PRRGXOYMRFGKCH-UHFFFAOYSA-N
Compound name
4-(5-methyl-2-propan-2-ylphenoxy)-3-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.11575 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12303 167.9
[M+Na]+ 322.10497 182.9
[M+NH4]+ 317.14957 175.2
[M+K]+ 338.07891 178.5
[M-H]- 298.10847 173.1
[M+Na-2H]- 320.09042 175.3
[M]+ 299.11520 171.5
[M]- 299.11630 171.5
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.