CID 79395

N,n-dimethylbenzylamine n-oxide

Structural Information

Molecular Formula
C9H13NO
SMILES
C[N+](C)(CC1=CC=CC=C1)[O-]
InChI
InChI=1S/C9H13NO/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey
UJZXIGKNPLTUOZ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-phenylmethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

284
Patents

151.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 129.1
[M+Na]+ 174.088938 136.0
[M-H]- 150.092444 132.9
[M+NH4]+ 169.133543 150.0
[M+K]+ 190.062878 130.3
[M+H-H2O]+ 134.096980 128.8
[M+HCOO]- 196.097921 153.9
[M+CH3COO]- 210.113571 171.6
[M+Na-2H]- 172.074386 140.1
[M]+ 151.09917142 127.2
[M]- 151.10026858 127.2
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