CID 19371779

155997-51-6

Structural Information

Molecular Formula
C10H14N2O
SMILES
CC(C)N1C2=C(C=N1)C(=O)CCC2
InChI
InChI=1S/C10H14N2O/c1-7(2)12-9-4-3-5-10(13)8(9)6-11-12/h6-7H,3-5H2,1-2H3
InChIKey
MFAODIIKLUBHJR-UHFFFAOYSA-N
Compound name
1-propan-2-yl-6,7-dihydro-5H-indazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

178.11061 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.117886 139.4
[M+Na]+ 201.099828 147.5
[M-H]- 177.103334 141.1
[M+NH4]+ 196.144433 159.9
[M+K]+ 217.073768 145.4
[M+H-H2O]+ 161.107870 132.5
[M+HCOO]- 223.108811 158.1
[M+CH3COO]- 237.124461 182.1
[M+Na-2H]- 199.085276 142.9
[M]+ 178.11006142 138.2
[M]- 178.11115858 138.2
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