CID 5717084

Monocyclohexyl fumarate

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

C1CCC(CC1)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C10H14O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12)/b7-6+

InChIKey

ZMQWRASVUXJXGM-VOTSOKGWSA-N

Compound name

(E)-4-cyclohexyloxy-4-oxobut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3166
Patents: 198.0892 Da
Monoisotopic Mass: 1.7
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]+	199.09648	144.6
[M+Na]+	221.07842	152.6
[M+NH4]+	216.12302	150.8
[M+K]+	237.05236	148.6
[M-H]-	197.08192	143.6
[M+Na-2H]-	219.06387	146.8
[M]+	198.08865	144.9
[M]-	198.08975	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe