CID 511811

2-(1-adamantyl)pyrrolidine

Structural Information

Molecular Formula
C14H23N
SMILES
C1CC(NC1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C14H23N/c1-2-13(15-3-1)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-13,15H,1-9H2
InChIKey
YVRRAISBZUMEJB-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

63
Patents

205.18304 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.19032 146.6
[M+Na]+ 228.17226 147.4
[M-H]- 204.17576 141.9
[M+NH4]+ 223.21686 171.8
[M+K]+ 244.14620 142.3
[M+H-H2O]+ 188.18030 139.1
[M+HCOO]- 250.18124 150.4
[M+CH3COO]- 264.19689 154.3
[M+Na-2H]- 226.15771 153.5
[M]+ 205.18249 140.9
[M]- 205.18359 140.9
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