CID 178199918

1-cyclopropyl-5-iodo-4-methyl-1h-pyrazole

Structural Information

Molecular Formula
C7H9IN2
SMILES
CC1=C(N(N=C1)C2CC2)I
InChI
InChI=1S/C7H9IN2/c1-5-4-9-10(7(5)8)6-2-3-6/h4,6H,2-3H2,1H3
InChIKey
DOXAKQFJFQBEDR-UHFFFAOYSA-N
Compound name
1-cyclopropyl-5-iodo-4-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.98105 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.98833 134.7
[M+Na]+ 270.97027 139.6
[M-H]- 246.97377 133.4
[M+NH4]+ 266.01487 146.5
[M+K]+ 286.94421 141.9
[M+H-H2O]+ 230.97831 124.3
[M+HCOO]- 292.97925 153.3
[M+CH3COO]- 306.99490 186.5
[M+Na-2H]- 268.95572 128.7
[M]+ 247.98050 134.9
[M]- 247.98160 134.9
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.