CID 144646

74331-49-0

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CC2CCC(=O)N(C1)C2
InChI
InChI=1S/C8H13NO/c10-8-4-3-7-2-1-5-9(8)6-7/h7H,1-6H2
InChIKey
LQWWDNCXHUPJLQ-UHFFFAOYSA-N
Compound name
1-azabicyclo[3.3.1]nonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

43
Patents

139.09972 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 128.1
[M+Na]+ 162.08894 133.7
[M-H]- 138.09244 128.7
[M+NH4]+ 157.13354 149.8
[M+K]+ 178.06288 132.1
[M+H-H2O]+ 122.09698 122.1
[M+HCOO]- 184.09792 144.5
[M+CH3COO]- 198.11357 173.7
[M+Na-2H]- 160.07439 135.3
[M]+ 139.09917 122.7
[M]- 139.10027 122.7
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