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

44
Patents

187.06332 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.070596 136.0
[M+Na]+ 210.052538 144.5
[M-H]- 186.056044 141.1
[M+NH4]+ 205.097143 156.3
[M+K]+ 226.026478 137.7
[M+H-H2O]+ 170.060580 134.7
[M+HCOO]- 232.061521 161.0
[M+CH3COO]- 246.077171 178.5
[M+Na-2H]- 208.037986 145.8
[M]+ 187.06277142 135.2
[M]- 187.06386858 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