CID 2829840

8-methoxyjulolidine

Structural Information

Molecular Formula
C13H17NO
SMILES
COC1=C2CCCN3C2=C(CCC3)C=C1
InChI
InChI=1S/C13H17NO/c1-15-12-7-6-10-4-2-8-14-9-3-5-11(12)13(10)14/h6-7H,2-5,8-9H2,1H3
InChIKey
ZSKPEBROOQBZNW-UHFFFAOYSA-N
Compound name
6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

203.13101 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 144.8
[M+Na]+ 226.12023 158.4
[M+NH4]+ 221.16483 155.5
[M+K]+ 242.09417 150.1
[M-H]- 202.12373 148.1
[M+Na-2H]- 224.10568 150.2
[M]+ 203.13046 147.8
[M]- 203.13156 147.8
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