CID 64532

87395-60-6

Structural Information

Molecular Formula
C19H29NO2
SMILES
CN1C2CCC1C(CC2)OC(=O)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C19H29NO2/c1-20-15-2-4-16(20)17(5-3-15)22-18(21)19-9-12-6-13(10-19)8-14(7-12)11-19/h12-17H,2-11H2,1H3
InChIKey
UIGHAFKYTZOCKS-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-2-yl) adamantane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.227096 168.5
[M+Na]+ 326.209038 167.3
[M-H]- 302.212544 163.3
[M+NH4]+ 321.253643 191.0
[M+K]+ 342.182978 162.5
[M+H-H2O]+ 286.217080 159.4
[M+HCOO]- 348.218021 167.2
[M+CH3COO]- 362.233671 173.7
[M+Na-2H]- 324.194486 172.0
[M]+ 303.21927142 165.1
[M]- 303.22036858 165.1
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.