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]+ 243.04913 146.4
[M+Na]+ 265.03107 159.8
[M-H]- 241.03457 151.6
[M+NH4]+ 260.07567 170.5
[M+K]+ 281.00501 148.9
[M+H-H2O]+ 225.03911 146.9
[M+HCOO]- 287.04005 163.9
[M+CH3COO]- 301.05570 190.7
[M+Na-2H]- 263.01652 152.7
[M]+ 242.04130 164.8
[M]- 242.04240 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.