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]+ 154.097486 132.4
[M+Na]+ 176.079428 141.4
[M-H]- 152.082934 130.3
[M+NH4]+ 171.124033 151.2
[M+K]+ 192.053368 137.5
[M+H-H2O]+ 136.087470 125.5
[M+HCOO]- 198.088411 148.8
[M+CH3COO]- 212.104061 144.4
[M+Na-2H]- 174.064876 137.5
[M]+ 153.08966142 127.6
[M]- 153.09075858 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