CID 107539

4316-66-9

Structural Information

Molecular Formula
C11H22NO2
SMILES
CC[N+](C)(CC)CCOC(=O)C(=C)C
InChI
InChI=1S/C11H22NO2/c1-6-12(5,7-2)8-9-14-11(13)10(3)4/h3,6-9H2,1-2,4-5H3/q+1
InChIKey
IOHYFCXREAFWQR-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1124
Patents

200.16505 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.172326 145.8
[M+Na]+ 223.154268 151.3
[M-H]- 199.157774 147.5
[M+NH4]+ 218.198873 165.7
[M+K]+ 239.128208 146.0
[M+H-H2O]+ 183.162310 143.8
[M+HCOO]- 245.163251 167.6
[M+CH3COO]- 259.178901 186.1
[M+Na-2H]- 221.139716 151.9
[M]+ 200.16450142 148.0
[M]- 200.16559858 148.0
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

patents stripe