CID 3010107

N-hexyladamantan-1-amine

Structural Information

Molecular Formula
C16H29N
SMILES
CCCCCCNC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C16H29N/c1-2-3-4-5-6-17-16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15,17H,2-12H2,1H3
InChIKey
ROMCYLWBZXUHLP-UHFFFAOYSA-N
Compound name
N-hexyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

235.23 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.23728 160.3
[M+Na]+ 258.21922 160.2
[M-H]- 234.22272 154.7
[M+NH4]+ 253.26382 184.6
[M+K]+ 274.19316 156.1
[M+H-H2O]+ 218.22726 153.4
[M+HCOO]- 280.22820 167.2
[M+CH3COO]- 294.24385 167.5
[M+Na-2H]- 256.20467 169.6
[M]+ 235.22945 160.0
[M]- 235.23055 160.0
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