CID 672403

1002651-67-3

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CCN1C(=CC=N1)CNC

InChI

InChI=1S/C7H13N3/c1-3-10-7(6-8-2)4-5-9-10/h4-5,8H,3,6H2,1-2H3

InChIKey

IPBXAQNEXLMXRW-UHFFFAOYSA-N

Compound name

1-(2-ethylpyrazol-3-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 139.11095 Da
Monoisotopic Mass: -0.1
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	129.2
[M+Na]+	162.100168	137.4
[M-H]-	138.103674	130.3
[M+NH4]+	157.144773	150.0
[M+K]+	178.074108	136.1
[M+H-H2O]+	122.108210	122.0
[M+HCOO]-	184.109151	153.5
[M+CH3COO]-	198.124801	176.7
[M+Na-2H]-	160.085616	135.7
[M]+	139.11040142	129.7
[M]-	139.11149858	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe