CID 67467835

1346818-66-3

Structural Information

Molecular Formula
C5H7IN2O
SMILES
C1=C(N(N=C1)CCO)I
InChI
InChI=1S/C5H7IN2O/c6-5-1-2-7-8(5)3-4-9/h1-2,9H,3-4H2
InChIKey
MNTGNXXNBMJOOW-UHFFFAOYSA-N
Compound name
2-(5-iodopyrazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

237.96031 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.96759 131.1
[M+Na]+ 260.94953 133.3
[M-H]- 236.95303 124.3
[M+NH4]+ 255.99413 146.8
[M+K]+ 276.92347 137.6
[M+H-H2O]+ 220.95757 121.2
[M+HCOO]- 282.95851 148.6
[M+CH3COO]- 296.97416 177.4
[M+Na-2H]- 258.93498 125.4
[M]+ 237.95976 128.8
[M]- 237.96086 128.8
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