CID 206810

Brn 0011613

Structural Information

Molecular Formula
C11H12N2O
SMILES
C1CN2CCNC(=O)C3=CC=CC1=C32
InChI
InChI=1S/C11H12N2O/c14-11-9-3-1-2-8-4-6-13(10(8)9)7-5-12-11/h1-3H,4-7H2,(H,12,14)
InChIKey
QNDXHROLCKSDCV-UHFFFAOYSA-N
Compound name
1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

188.09496 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 139.7
[M+Na]+ 211.08418 146.7
[M-H]- 187.08768 141.8
[M+NH4]+ 206.12878 159.1
[M+K]+ 227.05812 145.5
[M+H-H2O]+ 171.09222 133.3
[M+HCOO]- 233.09316 155.9
[M+CH3COO]- 247.10881 151.3
[M+Na-2H]- 209.06963 145.4
[M]+ 188.09441 134.1
[M]- 188.09551 134.1
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