CID 8138

Methyl undec-10-enoate

Structural Information

Molecular Formula

C₁₂H₂₂O₂

SMILES

COC(=O)CCCCCCCCC=C

InChI

InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3

InChIKey

KISVAASFGZJBCY-UHFFFAOYSA-N

Compound name

methyl undec-10-enoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 12
References: 1932
Patents: 198.16199 Da
Monoisotopic Mass: 4.2
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]+	199.16927	149.6
[M+Na]+	221.15121	158.8
[M+NH4]+	216.19581	156.3
[M+K]+	237.12515	152.1
[M-H]-	197.15471	148.3
[M+Na-2H]-	219.13666	151.7
[M]+	198.16144	150.3
[M]-	198.16254	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe