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

237
Patents

247.15723 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 157.4
[M+Na]+ 270.14645 160.1
[M-H]- 246.14995 162.7
[M+NH4]+ 265.19105 172.8
[M+K]+ 286.12039 159.7
[M+H-H2O]+ 230.15449 150.1
[M+HCOO]- 292.15543 171.1
[M+CH3COO]- 306.17108 166.7
[M+Na-2H]- 268.13190 159.7
[M]+ 247.15668 146.7
[M]- 247.15778 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.