CID 132371576

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

Structural Information

Molecular Formula
C5H7IN2O
SMILES
CN1C=C(C(=N1)I)CO
InChI
InChI=1S/C5H7IN2O/c1-8-2-4(3-9)5(6)7-8/h2,9H,3H2,1H3
InChIKey
SPDCQORQYQAYLW-UHFFFAOYSA-N
Compound name
(3-iodo-1-methylpyrazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

237.96031 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.96759 132.4
[M+Na]+ 260.94953 136.5
[M+NH4]+ 255.99413 135.8
[M+K]+ 276.92347 136.4
[M-H]- 236.95303 126.0
[M+Na-2H]- 258.93498 125.0
[M]+ 237.95976 129.9
[M]- 237.96086 129.9
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