CID 60136481

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

Structural Information

Molecular Formula
C6H9BrN2O
SMILES
CCN1C=C(C(=N1)CO)Br
InChI
InChI=1S/C6H9BrN2O/c1-2-9-3-5(7)6(4-10)8-9/h3,10H,2,4H2,1H3
InChIKey
AQVZIFBABRFRML-UHFFFAOYSA-N
Compound name
(4-bromo-1-ethylpyrazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

203.98982 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.997096 134.4
[M+Na]+ 226.979038 147.7
[M-H]- 202.982544 137.6
[M+NH4]+ 222.023643 156.2
[M+K]+ 242.952978 137.1
[M+H-H2O]+ 186.987080 134.2
[M+HCOO]- 248.988021 154.6
[M+CH3COO]- 263.003671 180.1
[M+Na-2H]- 224.964486 141.1
[M]+ 203.98927142 153.8
[M]- 203.99036858 153.8
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