CID 557466

9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one

Structural Information

Molecular Formula
C8H14N2O
SMILES
CN1C2CCC1CNC(=O)C2
InChI
InChI=1S/C8H14N2O/c1-10-6-2-3-7(10)5-9-8(11)4-6/h6-7H,2-5H2,1H3,(H,9,11)
InChIKey
ZPLMTUXXQQUKDH-UHFFFAOYSA-N
Compound name
9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

154.11061 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 131.1
[M+Na]+ 177.09983 136.9
[M-H]- 153.10333 131.2
[M+NH4]+ 172.14443 151.0
[M+K]+ 193.07377 137.4
[M+H-H2O]+ 137.10787 124.9
[M+HCOO]- 199.10881 146.5
[M+CH3COO]- 213.12446 142.6
[M+Na-2H]- 175.08528 135.2
[M]+ 154.11006 124.1
[M]- 154.11116 124.1
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