CID 78614

2-methoxy-1-nitronaphthalene

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC1=C(C2=CC=CC=C2C=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H9NO3/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7H,1H3
InChIKey
XDNSKIDXVJNJFO-UHFFFAOYSA-N
Compound name
2-methoxy-1-nitronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

203.05824 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 139.5
[M+Na]+ 226.047458 147.7
[M-H]- 202.050964 144.5
[M+NH4]+ 221.092063 158.9
[M+K]+ 242.021398 141.5
[M+H-H2O]+ 186.055500 137.9
[M+HCOO]- 248.056441 164.6
[M+CH3COO]- 262.072091 180.6
[M+Na-2H]- 224.032906 149.3
[M]+ 203.05769142 140.0
[M]- 203.05878858 140.0
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