CID 24708562

2174008-06-9

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

C1=C(C=NN1CCO)CN

InChI

InChI=1S/C6H11N3O/c7-3-6-4-8-9(5-6)1-2-10/h4-5,10H,1-3,7H2

InChIKey

OZGHNDLEHPCVJQ-UHFFFAOYSA-N

Compound name

2-[4-(aminomethyl)pyrazol-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 141.09021 Da
Monoisotopic Mass: -1.7
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]+	142.097486	128.4
[M+Na]+	164.079428	136.6
[M-H]-	140.082934	127.8
[M+NH4]+	159.124033	148.1
[M+K]+	180.053368	134.7
[M+H-H2O]+	124.087470	121.5
[M+HCOO]-	186.088411	151.2
[M+CH3COO]-	200.104061	172.4
[M+Na-2H]-	162.064876	133.9
[M]+	141.08966142	127.1
[M]-	141.09075858	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe