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]+ 214.13388 147.5
[M+Na]+ 236.11582 156.8
[M-H]- 212.11932 152.9
[M+NH4]+ 231.16042 168.0
[M+K]+ 252.08976 152.5
[M+H-H2O]+ 196.12386 139.9
[M+HCOO]- 258.12480 170.2
[M+CH3COO]- 272.14045 160.6
[M+Na-2H]- 234.10127 150.1
[M]+ 213.12605 146.0
[M]- 213.12715 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.