CID 27120

15177-70-5

Structural Information

Molecular Formula
C9H13N2O2
SMILES
C[N+](C)(C)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H13N2O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3/q+1
InChIKey
TVNCBHOGHRNADZ-UHFFFAOYSA-N
Compound name
trimethyl-(4-nitrophenyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

181.0977 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.104976 135.4
[M+Na]+ 204.086918 142.4
[M-H]- 180.090424 141.0
[M+NH4]+ 199.131523 154.9
[M+K]+ 220.060858 132.4
[M+H-H2O]+ 164.094960 137.3
[M+HCOO]- 226.095901 161.3
[M+CH3COO]- 240.111551 175.7
[M+Na-2H]- 202.072366 147.7
[M]+ 181.09715142 133.5
[M]- 181.09824858 133.5
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