CID 71307692

(4-iodo-1,3-dimethyl-1h-pyrazol-5-yl)methanol

Structural Information

Molecular Formula
C6H9IN2O
SMILES
CC1=NN(C(=C1I)CO)C
InChI
InChI=1S/C6H9IN2O/c1-4-6(7)5(3-10)9(2)8-4/h10H,3H2,1-2H3
InChIKey
FBUYLCVUXNTMHH-UHFFFAOYSA-N
Compound name
(4-iodo-1,3-dimethylpyrazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

251.97597 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.983246 133.9
[M+Na]+ 274.965188 137.5
[M-H]- 250.968694 127.8
[M+NH4]+ 270.009793 149.7
[M+K]+ 290.939128 141.5
[M+H-H2O]+ 234.973230 124.6
[M+HCOO]- 296.974171 151.1
[M+CH3COO]- 310.989821 182.4
[M+Na-2H]- 272.950636 126.5
[M]+ 251.97542142 132.7
[M]- 251.97651858 132.7
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