CID 83868839

2503204-06-4

Structural Information

Molecular Formula
C12H12ClN3
SMILES
C1CC2=C(C1)N(N=C2N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C12H12ClN3/c13-8-4-6-9(7-5-8)16-11-3-1-2-10(11)12(14)15-16/h4-7H,1-3H2,(H2,14,15)
InChIKey
XNIXNHKSIVOBNH-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.07198 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07926 151.9
[M+Na]+ 256.06120 162.3
[M-H]- 232.06470 157.0
[M+NH4]+ 251.10580 172.3
[M+K]+ 272.03514 156.5
[M+H-H2O]+ 216.06924 144.5
[M+HCOO]- 278.07018 170.0
[M+CH3COO]- 292.08583 164.8
[M+Na-2H]- 254.04665 154.1
[M]+ 233.07143 151.8
[M]- 233.07253 151.8
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.