CID 64220

25517-14-0

Structural Information

Molecular Formula
C16H29N2O
SMILES
C[N+](C)(C)CCC(=O)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C16H28N2O/c1-18(2,3)5-4-15(19)17-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,4-11H2,1-3H3/p+1
InChIKey
CXOVTLRXUGYDJL-UHFFFAOYSA-O
Compound name
[3-(1-adamantylamino)-3-oxopropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.228 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.23528 162.9
[M+Na]+ 288.21722 162.3
[M-H]- 264.22072 158.7
[M+NH4]+ 283.26182 186.1
[M+K]+ 304.19116 154.9
[M+H-H2O]+ 248.22526 159.5
[M+HCOO]- 310.22620 169.6
[M+CH3COO]- 324.24185 206.4
[M+Na-2H]- 286.20267 175.7
[M]+ 265.22745 162.0
[M]- 265.22855 162.0
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.