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]+ 190.097486 139.3
[M+Na]+ 212.079428 150.1
[M-H]- 188.082934 141.5
[M+NH4]+ 207.124033 157.5
[M+K]+ 228.053368 146.2
[M+H-H2O]+ 172.087470 131.9
[M+HCOO]- 234.088411 161.6
[M+CH3COO]- 248.104061 186.1
[M+Na-2H]- 210.064876 147.5
[M]+ 189.08966142 139.6
[M]- 189.09075858 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.