CID 5382270

9-azabicyclo[6.2.0]dec-4-en-10-one

Structural Information

Molecular Formula
C9H13NO
SMILES
C/1CC2C(CC/C=C1)NC2=O
InChI
InChI=1S/C9H13NO/c11-9-7-5-3-1-2-4-6-8(7)10-9/h1-2,7-8H,3-6H2,(H,10,11)/b2-1-
InChIKey
LGFGPHLZVAEHME-UPHRSURJSA-N
Compound name
(4Z)-9-azabicyclo[6.2.0]dec-4-en-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

49
Patents

151.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 128.9
[M+Na]+ 174.08894 133.4
[M-H]- 150.09244 130.0
[M+NH4]+ 169.13354 135.5
[M+K]+ 190.06288 134.8
[M+H-H2O]+ 134.09698 123.8
[M+HCOO]- 196.09792 137.2
[M+CH3COO]- 210.11357 219.7
[M+Na-2H]- 172.07439 131.5
[M]+ 151.09917 131.1
[M]- 151.10027 131.1
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