CID 93496

1-methyl-5-nitronaphthalene

Structural Information

Molecular Formula
C11H9NO2
SMILES
CC1=C2C=CC=C(C2=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H9NO2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3
InChIKey
AOSRALZFDNFXFZ-UHFFFAOYSA-N
Compound name
1-methyl-5-nitronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

187.06332 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 136.0
[M+Na]+ 210.05254 144.5
[M-H]- 186.05604 141.1
[M+NH4]+ 205.09714 156.3
[M+K]+ 226.02648 137.7
[M+H-H2O]+ 170.06058 134.7
[M+HCOO]- 232.06152 161.0
[M+CH3COO]- 246.07717 178.5
[M+Na-2H]- 208.03799 145.8
[M]+ 187.06277 135.2
[M]- 187.06387 135.2
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