CID 300322

30483-14-8

Structural Information

Molecular Formula
C13H19NO
SMILES
C1CCCC23CC=CCC2(CC1)C(=O)N3
InChI
InChI=1S/C13H19NO/c15-11-12-7-3-1-2-4-9-13(12,14-11)10-6-5-8-12/h5-6H,1-4,7-10H2,(H,14,15)
InChIKey
VFYRKGAMLRZLPZ-UHFFFAOYSA-N
Compound name
13-azatricyclo[6.4.2.01,8]tetradec-10-en-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 148.6
[M+Na]+ 228.13589 152.1
[M-H]- 204.13939 150.3
[M+NH4]+ 223.18049 155.5
[M+K]+ 244.10983 152.8
[M+H-H2O]+ 188.14393 142.9
[M+HCOO]- 250.14487 154.9
[M+CH3COO]- 264.16052 152.8
[M+Na-2H]- 226.12134 149.7
[M]+ 205.14612 149.0
[M]- 205.14722 149.0
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.