CID 3295216

Hexyldimethylamine oxide

Structural Information

Molecular Formula
C8H19NO
SMILES
CCCCCC[N+](C)(C)[O-]
InChI
InChI=1S/C8H19NO/c1-4-5-6-7-8-9(2,3)10/h4-8H2,1-3H3
InChIKey
YYRMITYYFKZLLJ-UHFFFAOYSA-N
Compound name
N,N-dimethylhexan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

127
References

267
Patents

145.14667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.153946 133.7
[M+Na]+ 168.135888 140.0
[M-H]- 144.139394 134.0
[M+NH4]+ 163.180493 155.3
[M+K]+ 184.109828 135.4
[M+H-H2O]+ 128.143930 134.5
[M+HCOO]- 190.144871 157.1
[M+CH3COO]- 204.160521 173.6
[M+Na-2H]- 166.121336 142.5
[M]+ 145.14612142 133.9
[M]- 145.14721858 133.9
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