CID 65348878

2-(2-methylphenyl)-2h,4h,5h,6h-cyclopenta[c]pyrazol-3-amine

Structural Information

Molecular Formula
C13H15N3
SMILES
CC1=CC=CC=C1N2C(=C3CCCC3=N2)N
InChI
InChI=1S/C13H15N3/c1-9-5-2-3-8-12(9)16-13(14)10-6-4-7-11(10)15-16/h2-3,5,8H,4,6-7,14H2,1H3
InChIKey
RFHKMJGDTAHEDV-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.1266 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.133876 147.5
[M+Na]+ 236.115818 156.8
[M-H]- 212.119324 152.9
[M+NH4]+ 231.160423 168.0
[M+K]+ 252.089758 152.5
[M+H-H2O]+ 196.123860 139.9
[M+HCOO]- 258.124801 170.2
[M+CH3COO]- 272.140451 160.6
[M+Na-2H]- 234.101266 150.1
[M]+ 213.12605142 146.0
[M]- 213.12714858 146.0
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.