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

29
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 130.1
[M+Na]+ 260.94953 133.2
[M-H]- 236.95303 123.7
[M+NH4]+ 255.99413 146.1
[M+K]+ 276.92347 137.5
[M+H-H2O]+ 220.95757 120.6
[M+HCOO]- 282.95851 147.6
[M+CH3COO]- 296.97416 178.4
[M+Na-2H]- 258.93498 123.8
[M]+ 237.95976 128.2
[M]- 237.96086 128.2
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