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]+ 244.16959 159.0
[M+Na]+ 266.15153 165.0
[M-H]- 242.15503 156.7
[M+NH4]+ 261.19613 181.3
[M+K]+ 282.12547 160.0
[M+H-H2O]+ 226.15957 152.2
[M+HCOO]- 288.16051 167.6
[M+CH3COO]- 302.17616 168.4
[M+Na-2H]- 264.13698 167.2
[M]+ 243.16176 158.8
[M]- 243.16286 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.