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

14
Patents

178.11061 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 139.4
[M+Na]+ 201.09983 147.5
[M-H]- 177.10333 141.1
[M+NH4]+ 196.14443 159.9
[M+K]+ 217.07377 145.4
[M+H-H2O]+ 161.10787 132.5
[M+HCOO]- 223.10881 158.1
[M+CH3COO]- 237.12446 182.1
[M+Na-2H]- 199.08528 142.9
[M]+ 178.11006 138.2
[M]- 178.11116 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