CID 578961

848436-19-1

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CCN1C=C(C(=N1)C)CN

InChI

InChI=1S/C7H13N3/c1-3-10-5-7(4-8)6(2)9-10/h5H,3-4,8H2,1-2H3

InChIKey

RGMVBQDEJONUNA-UHFFFAOYSA-N

Compound name

(1-ethyl-3-methylpyrazol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 139.11095 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]+	140.118226	129.5
[M+Na]+	162.100168	138.8
[M-H]-	138.103674	130.5
[M+NH4]+	157.144773	150.4
[M+K]+	178.074108	137.0
[M+H-H2O]+	122.108210	122.7
[M+HCOO]-	184.109151	153.2
[M+CH3COO]-	198.124801	177.1
[M+Na-2H]-	160.085616	134.3
[M]+	139.11040142	129.4
[M]-	139.11149858	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe