CID 427127

54099-18-2

Structural Information

Molecular Formula
C18H32NO2
SMILES
CC[N+](C)(C)CCCOC(=O)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C18H32NO2/c1-4-19(2,3)6-5-7-21-17(20)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,4-13H2,1-3H3/q+1
InChIKey
ZKVYSUSADSTETC-UHFFFAOYSA-N
Compound name
3-(adamantane-1-carbonyloxy)propyl-ethyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.24332 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.25060 174.7
[M+Na]+ 317.23254 173.8
[M-H]- 293.23604 170.2
[M+NH4]+ 312.27714 197.0
[M+K]+ 333.20648 166.4
[M+H-H2O]+ 277.24058 170.9
[M+HCOO]- 339.24152 179.8
[M+CH3COO]- 353.25717 209.4
[M+Na-2H]- 315.21799 185.9
[M]+ 294.24277 176.3
[M]- 294.24387 176.3
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.