CID 513038

Chembl441462

Structural Information

Molecular Formula
C13H21N
SMILES
C1C2CC3CC1CC(C2)C34CC4CN
InChI
InChI=1S/C13H21N/c14-7-12-6-13(12)10-2-8-1-9(4-10)5-11(13)3-8/h8-12H,1-7,14H2
InChIKey
JYMRKYUDQLOGIN-UHFFFAOYSA-N
Compound name
spiro[adamantane-2,2'-cyclopropane]-1'-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

191.1674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.17468 144.0
[M+Na]+ 214.15662 148.8
[M-H]- 190.16012 142.7
[M+NH4]+ 209.20122 165.0
[M+K]+ 230.13056 144.2
[M+H-H2O]+ 174.16466 137.2
[M+HCOO]- 236.16560 151.0
[M+CH3COO]- 250.18125 153.0
[M+Na-2H]- 212.14207 153.5
[M]+ 191.16685 144.2
[M]- 191.16795 144.2
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.