CID 3040068

3-(2-imidazolinylmethyl)quinuclidine

Structural Information

Molecular Formula
C11H19N3
SMILES
C1CN2CCC1C(C2)CC3=NCCN3
InChI
InChI=1S/C11H19N3/c1-5-14-6-2-9(1)10(8-14)7-11-12-3-4-13-11/h9-10H,1-8H2,(H,12,13)
InChIKey
WWIGDDMIOIIUGD-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.1579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.16518 141.6
[M+Na]+ 216.14712 144.9
[M-H]- 192.15062 135.6
[M+NH4]+ 211.19172 162.3
[M+K]+ 232.12106 141.3
[M+H-H2O]+ 176.15516 134.0
[M+HCOO]- 238.15610 148.9
[M+CH3COO]- 252.17175 150.3
[M+Na-2H]- 214.13257 149.6
[M]+ 193.15735 138.2
[M]- 193.15845 138.2
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.