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]+ 232.205976 155.4
[M+Na]+ 254.187918 156.9
[M-H]- 230.191424 151.6
[M+NH4]+ 249.232523 180.6
[M+K]+ 270.161858 151.5
[M+H-H2O]+ 214.195960 147.3
[M+HCOO]- 276.196901 160.1
[M+CH3COO]- 290.212551 163.1
[M+Na-2H]- 252.173366 160.8
[M]+ 231.19815142 152.0
[M]- 231.19924858 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.