CID 3067903

2-methylene-3-(3,4-xylyl)-3-quinuclidinol hydrochloride

Structural Information

Molecular Formula
C16H21NO
SMILES
CC1=C(C=C(C=C1)C2(C3CCN(C2=C)CC3)O)C
InChI
InChI=1S/C16H21NO/c1-11-4-5-15(10-12(11)2)16(18)13(3)17-8-6-14(16)7-9-17/h4-5,10,14,18H,3,6-9H2,1-2H3
InChIKey
JCOFODPHNTXYLA-UHFFFAOYSA-N
Compound name
3-(3,4-dimethylphenyl)-2-methylidene-1-azabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

0
Patents

243.16231 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.169586 159.0
[M+Na]+ 266.151528 165.0
[M-H]- 242.155034 156.7
[M+NH4]+ 261.196133 181.3
[M+K]+ 282.125468 160.0
[M+H-H2O]+ 226.159570 152.2
[M+HCOO]- 288.160511 167.6
[M+CH3COO]- 302.176161 168.4
[M+Na-2H]- 264.136976 167.2
[M]+ 243.16176142 158.8
[M]- 243.16285858 158.8
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.