CID 37906

Carmantadine

Structural Information

Molecular Formula
C14H21NO2
SMILES
C1CN(C1C(=O)O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C14H21NO2/c16-13(17)12-1-2-15(12)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-12H,1-8H2,(H,16,17)
InChIKey
VPBLOJFGPORKQA-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)azetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

360
Patents

235.15723 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 166.5
[M+Na]+ 258.146448 166.9
[M-H]- 234.149954 162.4
[M+NH4]+ 253.191053 182.5
[M+K]+ 274.120388 166.9
[M+H-H2O]+ 218.154490 154.8
[M+HCOO]- 280.155431 168.5
[M+CH3COO]- 294.171081 172.8
[M+Na-2H]- 256.131896 172.9
[M]+ 235.15668142 172.5
[M]- 235.15777858 172.5
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.