CID 3040067

3-(2-imidazolinyl)quinuclidine

Structural Information

Molecular Formula
C10H17N3
SMILES
C1CN2CCC1C(C2)C3=NCCN3
InChI
InChI=1S/C10H17N3/c1-5-13-6-2-8(1)9(7-13)10-11-3-4-12-10/h8-9H,1-7H2,(H,11,12)
InChIKey
ZBWBVUNMTDVBLU-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1H-imidazol-2-yl)-1-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.14224 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.14952 137.1
[M+Na]+ 202.13146 140.9
[M-H]- 178.13496 131.2
[M+NH4]+ 197.17606 158.3
[M+K]+ 218.10540 137.5
[M+H-H2O]+ 162.13950 129.7
[M+HCOO]- 224.14044 144.7
[M+CH3COO]- 238.15609 146.2
[M+Na-2H]- 200.11691 145.6
[M]+ 179.14169 133.4
[M]- 179.14279 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.