CID 13432

2-methyl-1-nitronaphthalene

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

203
Patents

187.06332 Da
Monoisotopic Mass

3.4
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

literature stripe

Patent stripe

patents stripe