CID 40427

Adamantane, 1-(3-(1-pyrrolidinyl)propyl)-, hydrochloride

Structural Information

Molecular Formula
C17H29N
SMILES
C1CCN(C1)CCCC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H29N/c1-2-6-18(5-1)7-3-4-17-11-14-8-15(12-17)10-16(9-14)13-17/h14-16H,1-13H2
InChIKey
NVKIUKCGBRTUQB-UHFFFAOYSA-N
Compound name
1-[3-(1-adamantyl)propyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.23 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.23728 159.8
[M+Na]+ 270.21922 159.4
[M-H]- 246.22272 155.6
[M+NH4]+ 265.26382 183.9
[M+K]+ 286.19316 154.5
[M+H-H2O]+ 230.22726 151.2
[M+HCOO]- 292.22820 163.9
[M+CH3COO]- 306.24385 166.6
[M+Na-2H]- 268.20467 165.2
[M]+ 247.22945 156.4
[M]- 247.23055 156.4
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.