CID 589800

42476-81-3

Structural Information

Molecular Formula
C10H11N3O
SMILES
CN1C(=O)C2=CC=CC=C2C(=N1)CN
InChI
InChI=1S/C10H11N3O/c1-13-10(14)8-5-3-2-4-7(8)9(6-11)12-13/h2-5H,6,11H2,1H3
InChIKey
XXIJSLHCIXQDON-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-2-methylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 139.3
[M+Na]+ 212.07943 150.1
[M-H]- 188.08293 141.5
[M+NH4]+ 207.12403 157.5
[M+K]+ 228.05337 146.2
[M+H-H2O]+ 172.08747 131.9
[M+HCOO]- 234.08841 161.6
[M+CH3COO]- 248.10406 186.1
[M+Na-2H]- 210.06488 147.5
[M]+ 189.08966 139.6
[M]- 189.09076 139.6
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.