CID 58044202

1346674-23-4

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1(CC2=C(C1)N3CCNC(=O)C3=C2)C
InChI
InChI=1S/C12H16N2O/c1-12(2)6-8-5-9-11(15)13-3-4-14(9)10(8)7-12/h5H,3-4,6-7H2,1-2H3,(H,13,15)
InChIKey
XIUNFLQSJSCQRM-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

204.12627 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 147.5
[M+Na]+ 227.11549 156.9
[M-H]- 203.11899 149.2
[M+NH4]+ 222.16009 171.2
[M+K]+ 243.08943 152.5
[M+H-H2O]+ 187.12353 141.7
[M+HCOO]- 249.12447 164.3
[M+CH3COO]- 263.14012 159.8
[M+Na-2H]- 225.10094 150.0
[M]+ 204.12572 144.7
[M]- 204.12682 144.7
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

No patent data available for this compound.