CID 98970

3-undecanol

Structural Information

Molecular Formula

C₁₁H₂₄O

SMILES

CCCCCCCCC(CC)O

InChI

InChI=1S/C11H24O/c1-3-5-6-7-8-9-10-11(12)4-2/h11-12H,3-10H2,1-2H3

InChIKey

HCARCYFXWDRVBZ-UHFFFAOYSA-N

Compound name

undecan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 964
Patents: 172.18271 Da
Monoisotopic Mass: 4.4
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]+	173.18999	144.0
[M+Na]+	195.17193	153.2
[M+NH4]+	190.21653	151.6
[M+K]+	211.14587	146.7
[M-H]-	171.17543	143.3
[M+Na-2H]-	193.15738	146.5
[M]+	172.18216	144.9
[M]-	172.18326	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe