CID 678223

1-nitro-2,4,6-triisopropylbenzene

Structural Information

Molecular Formula
C15H23NO2
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)[N+](=O)[O-])C(C)C
InChI
InChI=1S/C15H23NO2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3
InChIKey
FGBSHFPGPYKJJD-UHFFFAOYSA-N
Compound name
2-nitro-1,3,5-tri(propan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

249.17288 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 158.8
[M+Na]+ 272.16210 164.7
[M-H]- 248.16560 162.6
[M+NH4]+ 267.20670 175.9
[M+K]+ 288.13604 159.2
[M+H-H2O]+ 232.17014 157.6
[M+HCOO]- 294.17108 179.6
[M+CH3COO]- 308.18673 196.6
[M+Na-2H]- 270.14755 159.0
[M]+ 249.17233 159.1
[M]- 249.17343 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe