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]+ 180.149516 137.1
[M+Na]+ 202.131458 140.9
[M-H]- 178.134964 131.2
[M+NH4]+ 197.176063 158.3
[M+K]+ 218.105398 137.5
[M+H-H2O]+ 162.139500 129.7
[M+HCOO]- 224.140441 144.7
[M+CH3COO]- 238.156091 146.2
[M+Na-2H]- 200.116906 145.6
[M]+ 179.14169142 133.4
[M]- 179.14278858 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.