CID 3012268

3-(2-adamantyl)pyrrolidine

Structural Information

Molecular Formula
C14H23N
SMILES
C1CNCC1C2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C14H23N/c1-2-15-8-11(1)14-12-4-9-3-10(6-12)7-13(14)5-9/h9-15H,1-8H2
InChIKey
IULGEPJXNLPTSZ-UHFFFAOYSA-N
Compound name
3-(2-adamantyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

205.18304 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.19032 145.1
[M+Na]+ 228.17226 145.5
[M-H]- 204.17576 140.4
[M+NH4]+ 223.21686 168.7
[M+K]+ 244.14620 140.8
[M+H-H2O]+ 188.18030 138.5
[M+HCOO]- 250.18124 148.9
[M+CH3COO]- 264.19689 152.8
[M+Na-2H]- 226.15771 150.8
[M]+ 205.18249 139.5
[M]- 205.18359 139.5
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.