CID 40994

54099-12-6

Structural Information

Molecular Formula
C19H34NO2
SMILES
CC[N+](C)(C)CC(C)OC(=O)CC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C19H34NO2/c1-5-20(3,4)13-14(2)22-18(21)12-19-9-15-6-16(10-19)8-17(7-15)11-19/h14-17H,5-13H2,1-4H3/q+1
InChIKey
KKTCUVUIRPMDHO-UHFFFAOYSA-N
Compound name
2-[2-(1-adamantyl)acetyl]oxypropyl-ethyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.25894 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.26622 179.8
[M+Na]+ 331.24816 178.1
[M-H]- 307.25166 175.0
[M+NH4]+ 326.29276 201.4
[M+K]+ 347.22210 171.0
[M+H-H2O]+ 291.25620 176.1
[M+HCOO]- 353.25714 183.4
[M+CH3COO]- 367.27279 213.0
[M+Na-2H]- 329.23361 189.3
[M]+ 308.25839 181.0
[M]- 308.25949 181.0
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

No patent data available for this compound.