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 137.7
[M+Na]+ 202.09509 145.5
[M-H]- 178.09859 137.6
[M+NH4]+ 197.13969 155.1
[M+K]+ 218.06903 141.4
[M+H-H2O]+ 162.10313 130.5
[M+HCOO]- 224.10407 156.0
[M+CH3COO]- 238.11972 180.1
[M+Na-2H]- 200.08054 144.7
[M]+ 179.10532 132.6
[M]- 179.10642 132.6
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.