CID 13836898

1-methyl-4,5,6,7-tetrahydro-1h-indazol-4-ol

Structural Information

Molecular Formula
C8H12N2O
SMILES
CN1C2=C(C=N1)C(CCC2)O
InChI
InChI=1S/C8H12N2O/c1-10-7-3-2-4-8(11)6(7)5-9-10/h5,8,11H,2-4H2,1H3
InChIKey
ZMTBCFICMIVLDB-UHFFFAOYSA-N
Compound name
1-methyl-4,5,6,7-tetrahydroindazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

152.09496 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 131.7
[M+Na]+ 175.08418 140.3
[M-H]- 151.08768 132.2
[M+NH4]+ 170.12878 152.7
[M+K]+ 191.05812 137.9
[M+H-H2O]+ 135.09222 125.3
[M+HCOO]- 197.09316 150.5
[M+CH3COO]- 211.10881 173.4
[M+Na-2H]- 173.06963 137.0
[M]+ 152.09441 129.3
[M]- 152.09551 129.3
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