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

literature stripe

Patent stripe

patents stripe