CID 425112

3-quinuclidinol, 2-methylene-3-phenyl-, hydrochloride

Structural Information

Molecular Formula
C14H17NO
SMILES
C=C1C(C2CCN1CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C14H17NO/c1-11-14(16,12-5-3-2-4-6-12)13-7-9-15(11)10-8-13/h2-6,13,16H,1,7-10H2
InChIKey
ZZNFAHFZYUQEAO-UHFFFAOYSA-N
Compound name
2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

215.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13829 148.7
[M+Na]+ 238.12023 153.9
[M-H]- 214.12373 146.1
[M+NH4]+ 233.16483 171.5
[M+K]+ 254.09417 149.2
[M+H-H2O]+ 198.12827 141.8
[M+HCOO]- 260.12921 158.2
[M+CH3COO]- 274.14486 158.4
[M+Na-2H]- 236.10568 159.4
[M]+ 215.13046 147.1
[M]- 215.13156 147.1
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.