CID 64204

((1-adamantylcarbamoyl)methyl)trimethylammonium iodide

Structural Information

Molecular Formula
C15H27N2O
SMILES
C[N+](C)(C)CC(=O)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C15H26N2O/c1-17(2,3)10-14(18)16-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,4-10H2,1-3H3/p+1
InChIKey
ZXJZBTZSYQZLLJ-UHFFFAOYSA-O
Compound name
[2-(1-adamantylamino)-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.21234 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.21962 158.2
[M+Na]+ 274.20156 158.1
[M-H]- 250.20506 154.2
[M+NH4]+ 269.24616 182.0
[M+K]+ 290.17550 151.0
[M+H-H2O]+ 234.20960 155.1
[M+HCOO]- 296.21054 165.3
[M+CH3COO]- 310.22619 203.5
[M+Na-2H]- 272.18701 171.6
[M]+ 251.21179 157.0
[M]- 251.21289 157.0
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.