CID 11487124

Schembl272775

Structural Information

Molecular Formula
C8H20NO
SMILES
CC[N+](C)(CC)CCOC
InChI
InChI=1S/C8H20NO/c1-5-9(3,6-2)7-8-10-4/h5-8H2,1-4H3/q+1
InChIKey
BXHHZLMBMOBPEH-UHFFFAOYSA-N
Compound name
diethyl-(2-methoxyethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2992
Patents

146.1545 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.161776 131.7
[M+Na]+ 169.143718 138.3
[M-H]- 145.147224 133.7
[M+NH4]+ 164.188323 154.0
[M+K]+ 185.117658 133.7
[M+H-H2O]+ 129.151760 130.1
[M+HCOO]- 191.152701 155.8
[M+CH3COO]- 205.168351 176.7
[M+Na-2H]- 167.129166 141.7
[M]+ 146.15395142 134.2
[M]- 146.15504858 134.2
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