CID 23005845

N-[(1,3-dimethyl-1h-pyrazol-5-yl)methyl]-n-methylamine

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CC1=NN(C(=C1)CNC)C

InChI

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

InChIKey

RTTFXSJNRLYKMF-UHFFFAOYSA-N

Compound name

1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 139.11095 Da
Monoisotopic Mass: 0.0
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	129.1
[M+Na]+	162.100168	138.3
[M-H]-	138.103674	130.6
[M+NH4]+	157.144773	150.3
[M+K]+	178.074108	137.0
[M+H-H2O]+	122.108210	122.3
[M+HCOO]-	184.109151	153.5
[M+CH3COO]-	198.124801	177.8
[M+Na-2H]-	160.085616	134.9
[M]+	139.11040142	130.0
[M]-	139.11149858	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe