CID 57415773

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

Structural Information

Molecular Formula
C5H7BrN2O
SMILES
CN1C(=C(C=N1)Br)CO
InChI
InChI=1S/C5H7BrN2O/c1-8-5(3-9)4(6)2-7-8/h2,9H,3H2,1H3
InChIKey
YLTQBUUGYXTAHV-UHFFFAOYSA-N
Compound name
(4-bromo-1-methylpyrazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

189.97418 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.981456 129.8
[M+Na]+ 212.963398 143.6
[M-H]- 188.966904 133.1
[M+NH4]+ 208.008003 152.1
[M+K]+ 228.937338 133.2
[M+H-H2O]+ 172.971440 129.8
[M+HCOO]- 234.972381 150.3
[M+CH3COO]- 248.988031 177.3
[M+Na-2H]- 210.948846 137.0
[M]+ 189.97363142 148.9
[M]- 189.97472858 148.9
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