CID 83584554

2097893-32-6

Structural Information

Molecular Formula
C9H13N3O
SMILES
C1CCC2=NNC(=O)C(=C2C1)CN
InChI
InChI=1S/C9H13N3O/c10-5-7-6-3-1-2-4-8(6)11-12-9(7)13/h1-5,10H2,(H,12,13)
InChIKey
DHIKVGCSCXTXJK-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one
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 137.4
[M+Na]+ 202.09509 149.3
[M+NH4]+ 197.13969 145.3
[M+K]+ 218.06903 143.3
[M-H]- 178.09859 138.8
[M+Na-2H]- 200.08054 142.6
[M]+ 179.10532 139.2
[M]- 179.10642 139.2
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.