CID 45818

As-17,842

Structural Information

Molecular Formula
C14H34N2O
SMILES
CC[N+](C)(CC)CCCOCCC[N+](C)(C)C
InChI
InChI=1S/C14H34N2O/c1-7-16(6,8-2)12-10-14-17-13-9-11-15(3,4)5/h7-14H2,1-6H3/q+2
InChIKey
VCLDQQPFSVBKSG-UHFFFAOYSA-N
Compound name
diethyl-methyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.26712 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.27440 158.8
[M+Na]+ 269.25634 162.9
[M-H]- 245.25984 161.5
[M+NH4]+ 264.30094 177.4
[M+K]+ 285.23028 152.5
[M+H-H2O]+ 229.26438 158.9
[M+HCOO]- 291.26532 181.1
[M+CH3COO]- 305.28097 197.1
[M+Na-2H]- 267.24179 169.9
[M]+ 246.26657 162.3
[M]- 246.26767 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.