CID 3010108

N-dodecyladamantan-1-amine

Structural Information

Molecular Formula
C22H41N
SMILES
CCCCCCCCCCCCNC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C22H41N/c1-2-3-4-5-6-7-8-9-10-11-12-23-22-16-19-13-20(17-22)15-21(14-19)18-22/h19-21,23H,2-18H2,1H3
InChIKey
NRPYQBDBJWAOHB-UHFFFAOYSA-N
Compound name
N-dodecyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

319.3239 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.33118 187.1
[M+Na]+ 342.31312 184.2
[M-H]- 318.31662 180.0
[M+NH4]+ 337.35772 207.8
[M+K]+ 358.28706 178.7
[M+H-H2O]+ 302.32116 178.9
[M+HCOO]- 364.32210 191.8
[M+CH3COO]- 378.33775 221.2
[M+Na-2H]- 340.29857 193.0
[M]+ 319.32335 188.4
[M]- 319.32445 188.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe