CID 24229713

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

189.97418 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.98146 129.8
[M+Na]+ 212.96340 143.6
[M-H]- 188.96690 133.1
[M+NH4]+ 208.00800 152.1
[M+K]+ 228.93734 133.2
[M+H-H2O]+ 172.97144 129.8
[M+HCOO]- 234.97238 150.3
[M+CH3COO]- 248.98803 177.3
[M+Na-2H]- 210.94885 137.0
[M]+ 189.97363 148.9
[M]- 189.97473 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