CID 216724

37651-68-6

Structural Information

Molecular Formula
C11H24NO2
SMILES
CC[N+](C)(CC)CCCC(=O)OCC
InChI
InChI=1S/C11H24NO2/c1-5-12(4,6-2)10-8-9-11(13)14-7-3/h5-10H2,1-4H3/q+1
InChIKey
BNZOJZQEMJYATN-UHFFFAOYSA-N
Compound name
(4-ethoxy-4-oxobutyl)-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.18071 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.18799 147.9
[M+Na]+ 225.16993 153.3
[M-H]- 201.17343 149.4
[M+NH4]+ 220.21453 167.9
[M+K]+ 241.14387 148.2
[M+H-H2O]+ 185.17797 145.7
[M+HCOO]- 247.17891 170.4
[M+CH3COO]- 261.19456 186.5
[M+Na-2H]- 223.15538 155.1
[M]+ 202.18016 151.5
[M]- 202.18126 151.5
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.