CID 59525

102571-36-8

Structural Information

Molecular Formula
C17H32NO
SMILES
CC[N+](C)(C)CC(C)OC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C17H32NO/c1-5-18(3,4)12-13(2)19-17-9-14-6-15(10-17)8-16(7-14)11-17/h13-16H,5-12H2,1-4H3/q+1
InChIKey
WPBXNBBMNAUGFD-UHFFFAOYSA-N
Compound name
2-(1-adamantyloxy)propyl-ethyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.24838 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.25566 168.6
[M+Na]+ 289.23760 168.0
[M-H]- 265.24110 164.4
[M+NH4]+ 284.28220 192.1
[M+K]+ 305.21154 160.7
[M+H-H2O]+ 249.24564 164.9
[M+HCOO]- 311.24658 173.7
[M+CH3COO]- 325.26223 206.3
[M+Na-2H]- 287.22305 179.8
[M]+ 266.24783 169.2
[M]- 266.24893 169.2
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.