CID 5702504

1-tert-butyl-4-[(e)-2-nitroethenyl]benzene

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC(C)(C)C1=CC=C(C=C1)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C12H15NO2/c1-12(2,3)11-6-4-10(5-7-11)8-9-13(14)15/h4-9H,1-3H3/b9-8+
InChIKey
IJWOILQYJXJHTF-CMDGGOBGSA-N
Compound name
1-tert-butyl-4-[(E)-2-nitroethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.11028 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.1
[M+Na]+ 228.09950 158.3
[M+NH4]+ 223.14410 153.3
[M+K]+ 244.07344 154.4
[M-H]- 204.10300 148.1
[M+Na-2H]- 226.08495 151.6
[M]+ 205.10973 147.8
[M]- 205.11083 147.8
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