CID 3010109

N-allylaminoadamantan

Structural Information

Molecular Formula
C13H21N
SMILES
C=CCNC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C13H21N/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h2,10-12,14H,1,3-9H2
InChIKey
QLZNOUKGNJGEMZ-UHFFFAOYSA-N
Compound name
N-prop-2-enyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

191.1674 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.17468 145.2
[M+Na]+ 214.15662 146.7
[M-H]- 190.16012 140.3
[M+NH4]+ 209.20122 171.2
[M+K]+ 230.13056 142.7
[M+H-H2O]+ 174.16466 139.0
[M+HCOO]- 236.16560 153.5
[M+CH3COO]- 250.18125 153.8
[M+Na-2H]- 212.14207 156.3
[M]+ 191.16685 143.4
[M]- 191.16795 143.4
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.