CID 68938159

(4-bromo-1,5-dimethyl-1h-pyrazol-3-yl)methanol

Structural Information

Molecular Formula
C6H9BrN2O
SMILES
CC1=C(C(=NN1C)CO)Br
InChI
InChI=1S/C6H9BrN2O/c1-4-6(7)5(3-10)8-9(4)2/h10H,3H2,1-2H3
InChIKey
XSECUJSMUXCNJW-UHFFFAOYSA-N
Compound name
(4-bromo-1,5-dimethylpyrazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

203.98982 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.997096 133.9
[M+Na]+ 226.979038 148.1
[M-H]- 202.982544 137.4
[M+NH4]+ 222.023643 156.0
[M+K]+ 242.952978 137.4
[M+H-H2O]+ 186.987080 134.0
[M+HCOO]- 248.988021 154.1
[M+CH3COO]- 263.003671 181.2
[M+Na-2H]- 224.964486 139.9
[M]+ 203.98927142 153.7
[M]- 203.99036858 153.7
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