CID 657436

63446-38-8

Structural Information

Molecular Formula
C8H10N2O
SMILES
CC1=C2C(=NN1)CCCC2=O
InChI
InChI=1S/C8H10N2O/c1-5-8-6(10-9-5)3-2-4-7(8)11/h2-4H2,1H3,(H,9,10)
InChIKey
VROXGINCMQLXRS-UHFFFAOYSA-N
Compound name
3-methyl-2,5,6,7-tetrahydroindazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

31
Patents

150.07932 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 131.0
[M+Na]+ 173.06854 142.7
[M+NH4]+ 168.11314 139.5
[M+K]+ 189.04248 138.6
[M-H]- 149.07204 131.5
[M+Na-2H]- 171.05399 135.3
[M]+ 150.07877 132.5
[M]- 150.07987 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe