CID 135742463

3-bromo-1-methyl-1h-indazol-4-ol

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
CN1C2=C(C(=CC=C2)O)C(=N1)Br
InChI
InChI=1S/C8H7BrN2O/c1-11-5-3-2-4-6(12)7(5)8(9)10-11/h2-4,12H,1H3
InChIKey
SVUYERHMPBGENR-UHFFFAOYSA-N
Compound name
3-bromo-1-methylindazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.97418 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98146 137.6
[M+Na]+ 248.96340 153.1
[M-H]- 224.96690 142.4
[M+NH4]+ 244.00800 159.9
[M+K]+ 264.93734 141.6
[M+H-H2O]+ 208.97144 137.9
[M+HCOO]- 270.97238 158.4
[M+CH3COO]- 284.98803 153.8
[M+Na-2H]- 246.94885 146.2
[M]+ 225.97363 158.5
[M]- 225.97473 158.5
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

No patent data available for this compound.