CID 86238

Benzene, 1-(1-methylbutoxy)-4-nitro-

Structural Information

Molecular Formula
C11H15NO3
SMILES
CCCC(C)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H15NO3/c1-3-4-9(2)15-11-7-5-10(6-8-11)12(13)14/h5-9H,3-4H2,1-2H3
InChIKey
NSFMUSRZPDMRQD-UHFFFAOYSA-N
Compound name
1-nitro-4-pentan-2-yloxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

209.1052 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 146.5
[M+Na]+ 232.09442 152.6
[M-H]- 208.09792 150.1
[M+NH4]+ 227.13902 164.6
[M+K]+ 248.06836 147.5
[M+H-H2O]+ 192.10246 144.9
[M+HCOO]- 254.10340 170.9
[M+CH3COO]- 268.11905 182.7
[M+Na-2H]- 230.07987 152.4
[M]+ 209.10465 147.2
[M]- 209.10575 147.2
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