CID 13866122

(2s)-2-hydroxydecanenitrile

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

CCCCCCCC[C@@H](C#N)O

InChI

InChI=1S/C10H19NO/c1-2-3-4-5-6-7-8-10(12)9-11/h10,12H,2-8H2,1H3/t10-/m0/s1

InChIKey

PEZRXEBWVUSWAE-JTQLQIEISA-N

Compound name

(2S)-2-hydroxydecanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 169.14667 Da
Monoisotopic Mass: 3.3
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]+	170.153946	138.5
[M+Na]+	192.135888	145.6
[M-H]-	168.139394	137.7
[M+NH4]+	187.180493	156.6
[M+K]+	208.109828	144.1
[M+H-H2O]+	152.143930	127.2
[M+HCOO]-	214.144871	155.9
[M+CH3COO]-	228.160521	193.0
[M+Na-2H]-	190.121336	142.1
[M]+	169.14612142	135.3
[M]-	169.14721858	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe