CID 71683827

1427380-63-9

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CN2CCOC3=CC=CC(=C32)N1
InChI
InChI=1S/C10H12N2O/c1-2-8-10-9(3-1)13-7-6-12(10)5-4-11-8/h1-3,11H,4-7H2
InChIKey
NMPIPCVUBBDRIQ-UHFFFAOYSA-N
Compound name
4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.09496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 135.8
[M+Na]+ 199.08418 142.1
[M-H]- 175.08768 136.1
[M+NH4]+ 194.12878 153.3
[M+K]+ 215.05812 139.5
[M+H-H2O]+ 159.09222 127.9
[M+HCOO]- 221.09316 149.2
[M+CH3COO]- 235.10881 147.1
[M+Na-2H]- 197.06963 145.6
[M]+ 176.09441 131.3
[M]- 176.09551 131.3
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.