CID 165994000

3-bromo-1,5,5-trimethyl-4,5,6,7-tetrahydro-1h-indazole

Structural Information

Molecular Formula
C10H15BrN2
SMILES
CC1(CCC2=C(C1)C(=NN2C)Br)C
InChI
InChI=1S/C10H15BrN2/c1-10(2)5-4-8-7(6-10)9(11)12-13(8)3/h4-6H2,1-3H3
InChIKey
MBNXFRXRTDMNOV-UHFFFAOYSA-N
Compound name
3-bromo-1,5,5-trimethyl-6,7-dihydro-4H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.04185 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.049126 146.4
[M+Na]+ 265.031068 159.8
[M-H]- 241.034574 151.6
[M+NH4]+ 260.075673 170.5
[M+K]+ 281.005008 148.9
[M+H-H2O]+ 225.039110 146.9
[M+HCOO]- 287.040051 163.9
[M+CH3COO]- 301.055701 190.7
[M+Na-2H]- 263.016516 152.7
[M]+ 242.04130142 164.8
[M]- 242.04239858 164.8
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.