CID 121018

1124-16-9

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CC1=NN(C(=C1)N)C(C)C

InChI

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

InChIKey

OCSWHADWFJTNAZ-UHFFFAOYSA-N

Compound name

5-methyl-2-propan-2-ylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 183
Patents: 139.11095 Da
Monoisotopic Mass: 1.0
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]+	140.11823	129.7
[M+Na]+	162.10017	140.4
[M+NH4]+	157.14477	137.5
[M+K]+	178.07411	137.4
[M-H]-	138.10367	130.5
[M+Na-2H]-	160.08562	134.6
[M]+	139.11040	131.2
[M]-	139.11150	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe