CID 25090885

84100-29-8

Structural Information

Molecular Formula
C11H22NO2
SMILES
CC(C)(C[N+](C)(C)C)COC(=O)C=C
InChI
InChI=1S/C11H22NO2/c1-7-10(13)14-9-11(2,3)8-12(4,5)6/h7H,1,8-9H2,2-6H3/q+1
InChIKey
PFABZGMJZAZWHB-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3-prop-2-enoyloxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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 144.0
[M+Na]+ 223.154268 150.2
[M-H]- 199.157774 146.0
[M+NH4]+ 218.198873 164.1
[M+K]+ 239.128208 145.0
[M+H-H2O]+ 183.162310 142.7
[M+HCOO]- 245.163251 165.3
[M+CH3COO]- 259.178901 185.7
[M+Na-2H]- 221.139716 152.5
[M]+ 200.16450142 146.4
[M]- 200.16559858 146.4
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