CID 3010125

1-(adamantan-1-yl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C14H23N
SMILES
C1CCN(C1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C14H23N/c1-2-4-15(3-1)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,1-10H2
InChIKey
CUJGRKBCPJELRW-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

205.18304 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.19032 146.2
[M+Na]+ 228.17226 147.3
[M-H]- 204.17576 142.8
[M+NH4]+ 223.21686 172.1
[M+K]+ 244.14620 143.0
[M+H-H2O]+ 188.18030 138.2
[M+HCOO]- 250.18124 151.5
[M+CH3COO]- 264.19689 154.5
[M+Na-2H]- 226.15771 153.3
[M]+ 205.18249 142.1
[M]- 205.18359 142.1
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