CID 192582

1-hntz

Structural Information

Molecular Formula

C₁₁H₂₁N₃O

SMILES

CCCCCC[C@@H]([C@@H](C)O)N1C=NC=N1

InChI

InChI=1S/C11H21N3O/c1-3-4-5-6-7-11(10(2)15)14-9-12-8-13-14/h8-11,15H,3-7H2,1-2H3/t10-,11+/m1/s1

InChIKey

BKFJOEDXXGZDOD-MNOVXSKESA-N

Compound name

(2R,3S)-3-(1,2,4-triazol-1-yl)nonan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 211.16846 Da
Monoisotopic Mass: 2.6
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]+	212.17574	151.7
[M+Na]+	234.15768	160.7
[M+NH4]+	229.20228	157.5
[M+K]+	250.13162	157.7
[M-H]-	210.16118	149.9
[M+Na-2H]-	232.14313	154.8
[M]+	211.16791	152.1
[M]-	211.16901	152.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.