CID 3009949

1'-allylspiro[adamantane-2,3'-pyrrolidine]

Structural Information

Molecular Formula
C16H25N
SMILES
C=CCN1CCC2(C1)C3CC4CC(C3)CC2C4
InChI
InChI=1S/C16H25N/c1-2-4-17-5-3-16(11-17)14-7-12-6-13(9-14)10-15(16)8-12/h2,12-15H,1,3-11H2
InChIKey
NJPQLELYDHORAM-UHFFFAOYSA-N
Compound name
1'-prop-2-enylspiro[adamantane-2,3'-pyrrolidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.1987 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.20598 155.4
[M+Na]+ 254.18792 156.9
[M-H]- 230.19142 151.6
[M+NH4]+ 249.23252 180.6
[M+K]+ 270.16186 151.5
[M+H-H2O]+ 214.19596 147.3
[M+HCOO]- 276.19690 160.1
[M+CH3COO]- 290.21255 163.1
[M+Na-2H]- 252.17337 160.8
[M]+ 231.19815 152.0
[M]- 231.19925 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.