CID 1257670

499770-63-7

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CC1=NN(C(=C1)CN)C

InChI

InChI=1S/C6H11N3/c1-5-3-6(4-7)9(2)8-5/h3H,4,7H2,1-2H3

InChIKey

DAOWQCXPMWGSBW-UHFFFAOYSA-N

Compound name

(2,5-dimethylpyrazol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 144
Patents: 125.0953 Da
Monoisotopic Mass: -0.5
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]+	126.102576	124.9
[M+Na]+	148.084518	134.6
[M-H]-	124.088024	126.1
[M+NH4]+	143.129123	146.4
[M+K]+	164.058458	133.1
[M+H-H2O]+	108.092560	118.3
[M+HCOO]-	170.093501	149.0
[M+CH3COO]-	184.109151	174.1
[M+Na-2H]-	146.069966	130.2
[M]+	125.09475142	124.5
[M]-	125.09584858	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe