CID 65348831

1480427-47-1

Structural Information

Molecular Formula
C13H14ClN3
SMILES
CC1=C(C=C(C=C1)N2C(=C3CCCC3=N2)N)Cl
InChI
InChI=1S/C13H14ClN3/c1-8-5-6-9(7-11(8)14)17-13(15)10-3-2-4-12(10)16-17/h5-7H,2-4,15H2,1H3
InChIKey
BUQZIUDHZYZGMP-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08763 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.094906 157.0
[M+Na]+ 270.076848 167.9
[M-H]- 246.080354 162.4
[M+NH4]+ 265.121453 177.2
[M+K]+ 286.050788 161.8
[M+H-H2O]+ 230.084890 149.8
[M+HCOO]- 292.085831 174.8
[M+CH3COO]- 306.101481 169.8
[M+Na-2H]- 268.062296 158.0
[M]+ 247.08708142 157.7
[M]- 247.08817858 157.7
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.