CID 3248290

Iem 1460

Structural Information

Molecular Formula
C19H37N2
SMILES
C[N+](C)(C)CCCCCNCC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C19H37N2/c1-21(2,3)8-6-4-5-7-20-15-19-12-16-9-17(13-19)11-18(10-16)14-19/h16-18,20H,4-15H2,1-3H3/q+1
InChIKey
IWYZMMIPAJDJBN-UHFFFAOYSA-N
Compound name
5-(1-adamantylmethylamino)pentyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

47
References

65
Patents

293.2957 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.30298 174.3
[M+Na]+ 316.28492 172.5
[M-H]- 292.28842 169.5
[M+NH4]+ 311.32952 196.5
[M+K]+ 332.25886 163.9
[M+H-H2O]+ 276.29296 170.0
[M+HCOO]- 338.29390 180.6
[M+CH3COO]- 352.30955 214.0
[M+Na-2H]- 314.27037 186.2
[M]+ 293.29515 174.2
[M]- 293.29625 174.2
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

patents stripe