CID 18787119

1-azaspiro[4.5]dec-3-ene

Structural Information

Molecular Formula
C9H15N
SMILES
C1CCC2(CC1)C=CCN2
InChI
InChI=1S/C9H15N/c1-2-5-9(6-3-1)7-4-8-10-9/h4,7,10H,1-3,5-6,8H2
InChIKey
XQJPKVRKESBWPB-UHFFFAOYSA-N
Compound name
1-azaspiro[4.5]dec-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

137.12045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.12773 131.8
[M+Na]+ 160.10967 136.6
[M-H]- 136.11317 133.8
[M+NH4]+ 155.15427 154.9
[M+K]+ 176.08361 134.0
[M+H-H2O]+ 120.11771 125.4
[M+HCOO]- 182.11865 150.0
[M+CH3COO]- 196.13430 143.8
[M+Na-2H]- 158.09512 137.5
[M]+ 137.11990 123.3
[M]- 137.12100 123.3
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

patents stripe