CID 40996

54099-23-9

Structural Information

Molecular Formula
C18H34NO
SMILES
CC[N+](CC)(CC)CCOC1C2CC3CC(C2)CC1C3
InChI
InChI=1S/C18H34NO/c1-4-19(5-2,6-3)7-8-20-18-16-10-14-9-15(12-16)13-17(18)11-14/h14-18H,4-13H2,1-3H3/q+1
InChIKey
XIKRPBTZZHXJPR-UHFFFAOYSA-N
Compound name
2-(2-adamantyloxy)ethyl-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.26404 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.27132 172.2
[M+Na]+ 303.25326 171.1
[M-H]- 279.25676 167.9
[M+NH4]+ 298.29786 193.6
[M+K]+ 319.22720 163.4
[M+H-H2O]+ 263.26130 168.5
[M+HCOO]- 325.26224 178.1
[M+CH3COO]- 339.27789 210.0
[M+Na-2H]- 301.23871 182.6
[M]+ 280.26349 173.8
[M]- 280.26459 173.8
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.