CID 132161742

(4-bromo-5-ethyl-1-methyl-1h-pyrazol-3-yl)methanol

Structural Information

Molecular Formula
C7H11BrN2O
SMILES
CCC1=C(C(=NN1C)CO)Br
InChI
InChI=1S/C7H11BrN2O/c1-3-6-7(8)5(4-11)9-10(6)2/h11H,3-4H2,1-2H3
InChIKey
IOVDOPVQIFZMML-UHFFFAOYSA-N
Compound name
(4-bromo-5-ethyl-1-methylpyrazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

218.00548 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.012756 138.5
[M+Na]+ 240.994698 152.3
[M-H]- 216.998204 141.9
[M+NH4]+ 236.039303 160.1
[M+K]+ 256.968638 141.4
[M+H-H2O]+ 201.002740 138.4
[M+HCOO]- 263.003681 158.3
[M+CH3COO]- 277.019331 184.0
[M+Na-2H]- 238.980146 144.0
[M]+ 218.00493142 158.6
[M]- 218.00602858 158.6
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