CID 72942395

1141417-81-3

Structural Information

Molecular Formula
C9H13N3O
SMILES
COC1=NN=C2CCNCCC2=C1
InChI
InChI=1S/C9H13N3O/c1-13-9-6-7-2-4-10-5-3-8(7)11-12-9/h6,10H,2-5H2,1H3
InChIKey
OJHRFDMQSVUUQK-UHFFFAOYSA-N
Compound name
3-methoxy-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 135.7
[M+Na]+ 202.09509 141.9
[M-H]- 178.09859 135.8
[M+NH4]+ 197.13969 151.0
[M+K]+ 218.06903 143.0
[M+H-H2O]+ 162.10313 127.3
[M+HCOO]- 224.10407 151.7
[M+CH3COO]- 238.11972 146.7
[M+Na-2H]- 200.08054 143.6
[M]+ 179.10532 130.2
[M]- 179.10642 130.2
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.