CID 17024833

936939-85-4

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CC1=C(C=NN1C)C(C)N

InChI

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

InChIKey

UKAIZVWWRMRVIH-UHFFFAOYSA-N

Compound name

1-(1,5-dimethylpyrazol-4-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
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	130.0
[M+Na]+	162.100168	139.1
[M-H]-	138.103674	131.2
[M+NH4]+	157.144773	150.9
[M+K]+	178.074108	137.8
[M+H-H2O]+	122.108210	123.3
[M+HCOO]-	184.109151	152.8
[M+CH3COO]-	198.124801	178.0
[M+Na-2H]-	160.085616	133.6
[M]+	139.11040142	129.3
[M]-	139.11149858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe