CID 49879445

2-(4-iodo-3,5-dimethyl-1h-pyrazol-1-yl)ethan-1-amine

Structural Information

Molecular Formula
C7H12IN3
SMILES
CC1=C(C(=NN1CCN)C)I
InChI
InChI=1S/C7H12IN3/c1-5-7(8)6(2)11(10-5)4-3-9/h3-4,9H2,1-2H3
InChIKey
AFGGZRCCYBRQOT-UHFFFAOYSA-N
Compound name
2-(4-iodo-3,5-dimethylpyrazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0076 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.01488 141.5
[M+Na]+ 287.99682 144.3
[M-H]- 264.00032 136.0
[M+NH4]+ 283.04142 156.9
[M+K]+ 303.97076 148.0
[M+H-H2O]+ 248.00486 131.3
[M+HCOO]- 310.00580 159.9
[M+CH3COO]- 324.02145 189.7
[M+Na-2H]- 285.98227 133.2
[M]+ 265.00705 139.4
[M]- 265.00815 139.4
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.