CID 28808654

{1-methyl-1h,4h,5h,6h-cyclopenta[c]pyrazol-3-yl}methanamine

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

CN1C2=C(CCC2)C(=N1)CN

InChI

InChI=1S/C8H13N3/c1-11-8-4-2-3-6(8)7(5-9)10-11/h2-5,9H2,1H3

InChIKey

XHKAMZIANVTROM-UHFFFAOYSA-N

Compound name

(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 151.11095 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	152.118226	132.2
[M+Na]+	174.100168	141.2
[M-H]-	150.103674	134.0
[M+NH4]+	169.144773	155.2
[M+K]+	190.074108	139.1
[M+H-H2O]+	134.108210	125.6
[M+HCOO]-	196.109151	154.9
[M+CH3COO]-	210.124801	178.3
[M+Na-2H]-	172.085616	135.9
[M]+	151.11040142	130.7
[M]-	151.11149858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe