CID 123168

Triethylamine n-oxide

Structural Information

Molecular Formula
C6H15NO
SMILES
CC[N+](CC)(CC)[O-]
InChI
InChI=1S/C6H15NO/c1-4-7(8,5-2)6-3/h4-6H2,1-3H3
InChIKey
LFMTUFVYMCDPGY-UHFFFAOYSA-N
Compound name
N,N-diethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1195
Patents

117.115364 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.12264 123.3
[M+Na]+ 140.10458 135.3
[M+NH4]+ 135.14919 132.6
[M+K]+ 156.07852 131.5
[M-H]- 116.10809 125.1
[M+Na-2H]- 138.09003 128.4
[M]+ 117.11482 125.5
[M]- 117.11591 125.5
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