CID 45600693

1177292-42-0

Structural Information

Molecular Formula
C8H13Cl2N3
SMILES
CCC(CN)N1C(=C(C(=N1)C)Cl)Cl
InChI
InChI=1S/C8H13Cl2N3/c1-3-6(4-11)13-8(10)7(9)5(2)12-13/h6H,3-4,11H2,1-2H3
InChIKey
ACSLOOFGKJYNHL-UHFFFAOYSA-N
Compound name
2-(4,5-dichloro-3-methylpyrazol-1-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.04866 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05594 147.9
[M+Na]+ 244.03788 158.1
[M-H]- 220.04138 148.0
[M+NH4]+ 239.08248 166.6
[M+K]+ 260.01182 153.1
[M+H-H2O]+ 204.04592 141.9
[M+HCOO]- 266.04686 160.2
[M+CH3COO]- 280.06251 190.6
[M+Na-2H]- 242.02333 148.6
[M]+ 221.04811 150.2
[M]- 221.04921 150.2
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.