CID 513036

Chembl99777

Structural Information

Molecular Formula
C13H21N
SMILES
CNC1CC12C3CC4CC(C3)CC2C4
InChI
InChI=1S/C13H21N/c1-14-12-7-13(12)10-3-8-2-9(5-10)6-11(13)4-8/h8-12,14H,2-7H2,1H3
InChIKey
XXQOTZBRCCQPND-UHFFFAOYSA-N
Compound name
N-methylspiro[adamantane-2,2'-cyclopropane]-1'-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

191.1674 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.17468 143.4
[M+Na]+ 214.15662 148.1
[M-H]- 190.16012 142.6
[M+NH4]+ 209.20122 164.6
[M+K]+ 230.13056 143.8
[M+H-H2O]+ 174.16466 136.4
[M+HCOO]- 236.16560 150.9
[M+CH3COO]- 250.18125 152.6
[M+Na-2H]- 212.14207 153.8
[M]+ 191.16685 144.4
[M]- 191.16795 144.4
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.