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

47
Patents

218.00548 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.01276 138.5
[M+Na]+ 240.99470 152.3
[M-H]- 216.99820 141.9
[M+NH4]+ 236.03930 160.1
[M+K]+ 256.96864 141.4
[M+H-H2O]+ 201.00274 138.4
[M+HCOO]- 263.00368 158.3
[M+CH3COO]- 277.01933 184.0
[M+Na-2H]- 238.98015 144.0
[M]+ 218.00493 158.6
[M]- 218.00603 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