CID 3050286

Methyl 1h-imidazole-1-heptanoate

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂

SMILES

COC(=O)CCCCCCN1C=CN=C1

InChI

InChI=1S/C11H18N2O2/c1-15-11(14)6-4-2-3-5-8-13-9-7-12-10-13/h7,9-10H,2-6,8H2,1H3

InChIKey

DEXZIFVYYLEWAJ-UHFFFAOYSA-N

Compound name

methyl 7-imidazol-1-ylheptanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 210.13683 Da
Monoisotopic Mass: 1.4
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]+	211.14411	150.0
[M+Na]+	233.12605	159.7
[M+NH4]+	228.17065	156.3
[M+K]+	249.09999	155.7
[M-H]-	209.12955	149.1
[M+Na-2H]-	231.11150	153.9
[M]+	210.13628	150.7
[M]-	210.13738	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe