CID 64430983

1-(cyclopropylmethyl)-4-iodo-1h-pyrazole

Structural Information

Molecular Formula
C7H9IN2
SMILES
C1CC1CN2C=C(C=N2)I
InChI
InChI=1S/C7H9IN2/c8-7-3-9-10(5-7)4-6-1-2-6/h3,5-6H,1-2,4H2
InChIKey
SXBRZFVZNYEHIV-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-4-iodopyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

247.98105 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.98833 136.5
[M+Na]+ 270.97027 142.8
[M+NH4]+ 266.01487 141.6
[M+K]+ 286.94421 142.5
[M-H]- 246.97377 139.0
[M+Na-2H]- 268.95572 134.1
[M]+ 247.98050 138.1
[M]- 247.98160 138.1
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