CID 53792375

69658-96-4

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C1=C(NN=C1)CCCO

InChI

InChI=1S/C6H10N2O/c9-5-1-2-6-3-4-7-8-6/h3-4,9H,1-2,5H2,(H,7,8)

InChIKey

FCSXDTKTTSTKFL-UHFFFAOYSA-N

Compound name

3-(1H-pyrazol-5-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 49
Patents: 126.079315 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]+	127.086591	125.5
[M+Na]+	149.068533	133.2
[M-H]-	125.072039	123.6
[M+NH4]+	144.113138	145.3
[M+K]+	165.042473	130.9
[M+H-H2O]+	109.076575	118.9
[M+HCOO]-	171.077516	146.3
[M+CH3COO]-	185.093166	164.5
[M+Na-2H]-	147.053981	131.8
[M]+	126.07876642	123.6
[M]-	126.07986358	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe