CID 82594919

2470436-15-6

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

CN1C=C(C=N1)C2(CC2)CN

InChI

InChI=1S/C8H13N3/c1-11-5-7(4-10-11)8(6-9)2-3-8/h4-5H,2-3,6,9H2,1H3

InChIKey

XSBSEGAHTXBRNY-UHFFFAOYSA-N

Compound name

[1-(1-methylpyrazol-4-yl)cyclopropyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	152.11823	134.2
[M+Na]+	174.10017	146.6
[M+NH4]+	169.14477	144.4
[M+K]+	190.07411	142.2
[M-H]-	150.10367	143.4
[M+Na-2H]-	172.08562	144.5
[M]+	151.11040	139.7
[M]-	151.11150	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.