CID 64430983

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

Structural Information

Molecular Formula

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.98833	135.6
[M+Na]+	270.97027	139.6
[M-H]-	246.97377	133.8
[M+NH4]+	266.01487	147.0
[M+K]+	286.94421	142.1
[M+H-H2O]+	230.97831	124.8
[M+HCOO]-	292.97925	154.2
[M+CH3COO]-	306.99490	185.6
[M+Na-2H]-	268.95572	130.1
[M]+	247.98050	135.4
[M]-	247.98160	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe