CID 193971

Ciclafrine

Structural Information

Molecular Formula
C15H21NO2
SMILES
C1CCCC2(CC1)NCC(O2)C3=CC(=CC=C3)O
InChI
InChI=1S/C15H21NO2/c17-13-7-5-6-12(10-13)14-11-16-15(18-14)8-3-1-2-4-9-15/h5-7,10,14,16-17H,1-4,8-9,11H2
InChIKey
AJNAKEPPGKJNKU-UHFFFAOYSA-N
Compound name
3-(1-oxa-4-azaspiro[4.6]undecan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

247.15723 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 157.4
[M+Na]+ 270.146448 160.1
[M-H]- 246.149954 162.7
[M+NH4]+ 265.191053 172.8
[M+K]+ 286.120388 159.7
[M+H-H2O]+ 230.154490 150.1
[M+HCOO]- 292.155431 171.1
[M+CH3COO]- 306.171081 166.7
[M+Na-2H]- 268.131896 159.7
[M]+ 247.15668142 146.7
[M]- 247.15777858 146.7
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.