CID 23006006

1007515-32-3

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CC(C)N1C=CC(=N1)CN

InChI

InChI=1S/C7H13N3/c1-6(2)10-4-3-7(5-8)9-10/h3-4,6H,5,8H2,1-2H3

InChIKey

DWVZJJWBGYDTEZ-UHFFFAOYSA-N

Compound name

(1-propan-2-ylpyrazol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 139.11095 Da
Monoisotopic Mass: -0.2
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	129.8
[M+Na]+	162.10017	140.1
[M+NH4]+	157.14477	137.5
[M+K]+	178.07411	136.9
[M-H]-	138.10367	130.5
[M+Na-2H]-	160.08562	134.9
[M]+	139.11040	131.1
[M]-	139.11150	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe