CID 165981936

2-(4-iodo-1h-pyrazol-1-yl)-2-methylpropan-1-ol

Structural Information

Molecular Formula
C7H11IN2O
SMILES
CC(C)(CO)N1C=C(C=N1)I
InChI
InChI=1S/C7H11IN2O/c1-7(2,5-11)10-4-6(8)3-9-10/h3-4,11H,5H2,1-2H3
InChIKey
FFZNFLPXFARGKL-UHFFFAOYSA-N
Compound name
2-(4-iodopyrazol-1-yl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.9916 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.99888 142.0
[M+Na]+ 288.98082 143.8
[M-H]- 264.98432 135.3
[M+NH4]+ 284.02542 156.8
[M+K]+ 304.95476 148.0
[M+H-H2O]+ 248.98886 132.5
[M+HCOO]- 310.98980 157.3
[M+CH3COO]- 325.00545 183.4
[M+Na-2H]- 286.96627 135.9
[M]+ 265.99105 139.9
[M]- 265.99215 139.9
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

No patent data available for this compound.