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]+ 216.138286 148.7
[M+Na]+ 238.120228 153.9
[M-H]- 214.123734 146.1
[M+NH4]+ 233.164833 171.5
[M+K]+ 254.094168 149.2
[M+H-H2O]+ 198.128270 141.8
[M+HCOO]- 260.129211 158.2
[M+CH3COO]- 274.144861 158.4
[M+Na-2H]- 236.105676 159.4
[M]+ 215.13046142 147.1
[M]- 215.13155858 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.