CID 142642

1-azatricyclo[3.3.1.1,3,7]decan-4-one

Structural Information

Molecular Formula
C9H13NO
SMILES
C1C2CC3CN(C2)CC1C3=O
InChI
InChI=1S/C9H13NO/c11-9-7-1-6-2-8(9)5-10(3-6)4-7/h6-8H,1-5H2
InChIKey
XGZKYPXTXBKQTM-UHFFFAOYSA-N
Compound name
1-azatricyclo[3.3.1.13,7]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

151.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 130.7
[M+Na]+ 174.088938 134.4
[M-H]- 150.092444 125.5
[M+NH4]+ 169.133543 155.8
[M+K]+ 190.062878 132.2
[M+H-H2O]+ 134.096980 124.9
[M+HCOO]- 196.097921 138.6
[M+CH3COO]- 210.113571 140.8
[M+Na-2H]- 172.074386 142.4
[M]+ 151.09917142 130.5
[M]- 151.10026858 130.5
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