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
2
Annotation Hits

1
References

1881
Patents

189.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 140.5
[M+Na]+ 212.10459 146.7
[M-H]- 188.10809 141.7
[M+NH4]+ 207.14919 160.4
[M+K]+ 228.07853 142.8
[M+H-H2O]+ 172.11263 133.6
[M+HCOO]- 234.11357 155.4
[M+CH3COO]- 248.12922 151.9
[M+Na-2H]- 210.09004 148.0
[M]+ 189.11482 135.9
[M]- 189.11592 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