CID 170474

8-hydroxyjulolidine

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CC2=C3C(=C(C=C2)O)CCCN3C1
InChI
InChI=1S/C12H15NO/c14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13/h5-6,14H,1-4,7-8H2
InChIKey
FOFUWJNBAQJABO-UHFFFAOYSA-N
Compound name
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1916
Patents

189.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 140.5
[M+Na]+ 212.104588 146.7
[M-H]- 188.108094 141.7
[M+NH4]+ 207.149193 160.4
[M+K]+ 228.078528 142.8
[M+H-H2O]+ 172.112630 133.6
[M+HCOO]- 234.113571 155.4
[M+CH3COO]- 248.129221 151.9
[M+Na-2H]- 210.090036 148.0
[M]+ 189.11482142 135.9
[M]- 189.11591858 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe