CID 6484254

2-(4-chloro-3,5-dimethyl-1h-pyrazol-1-yl)ethan-1-amine

Structural Information

Molecular Formula
C7H12ClN3
SMILES
CC1=C(C(=NN1CCN)C)Cl
InChI
InChI=1S/C7H12ClN3/c1-5-7(8)6(2)11(10-5)4-3-9/h3-4,9H2,1-2H3
InChIKey
PFJTZFXCKUWHFQ-UHFFFAOYSA-N
Compound name
2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.07198 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07926 136.6
[M+Na]+ 196.06120 147.4
[M-H]- 172.06470 137.6
[M+NH4]+ 191.10580 157.1
[M+K]+ 212.03514 143.6
[M+H-H2O]+ 156.06924 130.4
[M+HCOO]- 218.07018 155.5
[M+CH3COO]- 232.08583 182.2
[M+Na-2H]- 194.04665 139.9
[M]+ 173.07143 138.4
[M]- 173.07253 138.4
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.