CID 54759034

1311197-79-1

Structural Information

Molecular Formula
C11H11BrN2
SMILES
CN1C2=C(C=C(C=C2)Br)C(=N1)C3CC3
InChI
InChI=1S/C11H11BrN2/c1-14-10-5-4-8(12)6-9(10)11(13-14)7-2-3-7/h4-7H,2-3H2,1H3
InChIKey
KJFYYJFGROXETI-UHFFFAOYSA-N
Compound name
5-bromo-3-cyclopropyl-1-methylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

250.01056 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.017836 152.1
[M+Na]+ 272.999778 168.6
[M-H]- 249.003284 161.2
[M+NH4]+ 268.044383 169.4
[M+K]+ 288.973718 155.8
[M+H-H2O]+ 233.007820 151.2
[M+HCOO]- 295.008761 173.5
[M+CH3COO]- 309.024411 167.5
[M+Na-2H]- 270.985226 159.1
[M]+ 250.01001142 174.2
[M]- 250.01110858 174.2
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