CID 5276634

1-(3,5-dimethyl-1-adamantyl)pyrrolidine

Structural Information

Molecular Formula
C16H27N
SMILES
CC12CC3CC(C1)(CC(C3)(C2)N4CCCC4)C
InChI
InChI=1S/C16H27N/c1-14-7-13-8-15(2,10-14)12-16(9-13,11-14)17-5-3-4-6-17/h13H,3-12H2,1-2H3
InChIKey
SQMQVXZVVMUDOF-UHFFFAOYSA-N
Compound name
1-(3,5-dimethyl-1-adamantyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.21436 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.22164 158.5
[M+Na]+ 256.20358 161.2
[M-H]- 232.20708 155.3
[M+NH4]+ 251.24818 187.0
[M+K]+ 272.17752 155.9
[M+H-H2O]+ 216.21162 148.9
[M+HCOO]- 278.21256 162.7
[M+CH3COO]- 292.22821 166.4
[M+Na-2H]- 254.18903 165.6
[M]+ 233.21381 155.5
[M]- 233.21491 155.5
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

No patent data available for this compound.