CID 720601

282104-73-8

Structural Information

Molecular Formula
C17H19NO3
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H19NO3/c1-12(2)16-9-4-13(3)10-17(16)21-11-14-5-7-15(8-6-14)18(19)20/h4-10,12H,11H2,1-3H3
InChIKey
FDOUPKOYCQGJPR-UHFFFAOYSA-N
Compound name
4-methyl-2-[(4-nitrophenyl)methoxy]-1-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1365 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 167.1
[M+Na]+ 308.12572 173.2
[M-H]- 284.12922 173.9
[M+NH4]+ 303.17032 182.0
[M+K]+ 324.09966 166.1
[M+H-H2O]+ 268.13376 163.7
[M+HCOO]- 330.13470 190.6
[M+CH3COO]- 344.15035 198.8
[M+Na-2H]- 306.11117 171.0
[M]+ 285.13595 168.0
[M]- 285.13705 168.0
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.