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

3
Patents

209.1052 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 146.5
[M+Na]+ 232.094418 152.6
[M-H]- 208.097924 150.1
[M+NH4]+ 227.139023 164.6
[M+K]+ 248.068358 147.5
[M+H-H2O]+ 192.102460 144.9
[M+HCOO]- 254.103401 170.9
[M+CH3COO]- 268.119051 182.7
[M+Na-2H]- 230.079866 152.4
[M]+ 209.10465142 147.2
[M]- 209.10574858 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