CID 950

N,n-dimethylaniline n-oxide

Structural Information

Molecular Formula
C8H11NO
SMILES
C[N+](C)(C1=CC=CC=C1)[O-]
InChI
InChI=1S/C8H11NO/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
LKQUDAOAMBKKQW-UHFFFAOYSA-N
Compound name
N,N-dimethylbenzeneamine oxide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

9
References

289
Patents

137.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 124.1
[M+Na]+ 160.073278 131.5
[M-H]- 136.076784 128.1
[M+NH4]+ 155.117883 145.7
[M+K]+ 176.047218 126.1
[M+H-H2O]+ 120.081320 124.2
[M+HCOO]- 182.082261 149.3
[M+CH3COO]- 196.097911 168.5
[M+Na-2H]- 158.058726 135.8
[M]+ 137.08351142 121.9
[M]- 137.08460858 121.9
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