CID 244470

Nsc55385

Structural Information

Molecular Formula

C₁₂H₂₂O₂

SMILES

C=CCCCCCCCCCOC=O

InChI

InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13/h2,12H,1,3-11H2

InChIKey

YBXNNLWZLUTKHC-UHFFFAOYSA-N

Compound name

undec-10-enyl formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 198.16199 Da
Monoisotopic Mass: 4.7
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]+	199.16927	149.1
[M+Na]+	221.15121	154.4
[M-H]-	197.15471	148.3
[M+NH4]+	216.19581	168.5
[M+K]+	237.12515	152.4
[M+H-H2O]+	181.15925	143.5
[M+HCOO]-	243.16019	171.8
[M+CH3COO]-	257.17584	187.6
[M+Na-2H]-	219.13666	153.1
[M]+	198.16144	154.2
[M]-	198.16254	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe