CID 50896692

1260658-90-9

Structural Information

Molecular Formula
C7H11ClN2
SMILES
CC(C)N1C(=CC=N1)CCl
InChI
InChI=1S/C7H11ClN2/c1-6(2)10-7(5-8)3-4-9-10/h3-4,6H,5H2,1-2H3
InChIKey
QEDPJNDEFANEPJ-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-propan-2-ylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.06108 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06836 131.8
[M+Na]+ 181.05030 141.4
[M-H]- 157.05380 132.7
[M+NH4]+ 176.09490 152.9
[M+K]+ 197.02424 138.6
[M+H-H2O]+ 141.05834 125.5
[M+HCOO]- 203.05928 149.3
[M+CH3COO]- 217.07493 176.7
[M+Na-2H]- 179.03575 136.1
[M]+ 158.06053 134.1
[M]- 158.06163 134.1
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

No patent data available for this compound.