CID 3010110

N-prop-2-ynyladamantan-1-amine

Structural Information

Molecular Formula
C13H19N
SMILES
C#CCNC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C13H19N/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h1,10-12,14H,3-9H2
InChIKey
HROYHGAPHZDENK-UHFFFAOYSA-N
Compound name
N-prop-2-ynyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

189.15175 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 148.3
[M+Na]+ 212.140968 155.2
[M-H]- 188.144474 144.3
[M+NH4]+ 207.185573 172.2
[M+K]+ 228.114908 143.9
[M+H-H2O]+ 172.149010 138.1
[M+HCOO]- 234.149951 153.1
[M+CH3COO]- 248.165601 156.3
[M+Na-2H]- 210.126416 158.2
[M]+ 189.15120142 142.3
[M]- 189.15229858 142.3
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