CID 168266390

Juniper berry oil

Structural Information

Molecular Formula
C13H15N3O
SMILES
C=C1CC2(CCN(C2)C3=CC=CC=N3)C(=O)N1
InChI
InChI=1S/C13H15N3O/c1-10-8-13(12(17)15-10)5-7-16(9-13)11-4-2-3-6-14-11/h2-4,6H,1,5,7-9H2,(H,15,17)
InChIKey
IBWGAGXYXZNWLZ-UHFFFAOYSA-N
Compound name
3-methylidene-7-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

0
Patents

229.1215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12878 153.6
[M+Na]+ 252.11072 161.3
[M-H]- 228.11422 157.2
[M+NH4]+ 247.15532 172.4
[M+K]+ 268.08466 156.5
[M+H-H2O]+ 212.11876 145.1
[M+HCOO]- 274.11970 170.7
[M+CH3COO]- 288.13535 164.8
[M+Na-2H]- 250.09617 154.4
[M]+ 229.12095 147.3
[M]- 229.12205 147.3
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.