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

356
Patents

235.15723 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 166.5
[M+Na]+ 258.14645 166.9
[M-H]- 234.14995 162.4
[M+NH4]+ 253.19105 182.5
[M+K]+ 274.12039 166.9
[M+H-H2O]+ 218.15449 154.8
[M+HCOO]- 280.15543 168.5
[M+CH3COO]- 294.17108 172.8
[M+Na-2H]- 256.13190 172.9
[M]+ 235.15668 172.5
[M]- 235.15778 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.