CID 64218

25517-12-8

Structural Information

Molecular Formula
C17H29N2O2
SMILES
C[N+]1(CCOCC1)CC(=O)NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H28N2O2/c1-19(2-4-21-5-3-19)12-16(20)18-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,2-12H2,1H3/p+1
InChIKey
SCFWPZJCDOXZGS-UHFFFAOYSA-O
Compound name
N-(1-adamantyl)-2-(4-methylmorpholin-4-ium-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.2229 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.23018 162.4
[M+Na]+ 316.21212 160.9
[M-H]- 292.21562 158.5
[M+NH4]+ 311.25672 182.6
[M+K]+ 332.18606 153.4
[M+H-H2O]+ 276.22016 155.0
[M+HCOO]- 338.22110 163.1
[M+CH3COO]- 352.23675 203.5
[M+Na-2H]- 314.19757 173.7
[M]+ 293.22235 157.3
[M]- 293.22345 157.3
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.