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

literature stripe

Patent stripe

patents stripe