CID 45121399

71233-24-4

Structural Information

Molecular Formula
C7H11N3O
SMILES
CN1C2=C(CCNC2)C(=O)N1
InChI
InChI=1S/C7H11N3O/c1-10-6-4-8-3-2-5(6)7(11)9-10/h8H,2-4H2,1H3,(H,9,11)
InChIKey
LJBDMFLWAOHEMP-UHFFFAOYSA-N
Compound name
1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

153.09021 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.09749 132.4
[M+Na]+ 176.07943 141.4
[M-H]- 152.08293 130.3
[M+NH4]+ 171.12403 151.2
[M+K]+ 192.05337 137.5
[M+H-H2O]+ 136.08747 125.5
[M+HCOO]- 198.08841 148.8
[M+CH3COO]- 212.10406 144.4
[M+Na-2H]- 174.06488 137.5
[M]+ 153.08966 127.6
[M]- 153.09076 127.6
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

patents stripe