CID 9837728

Menthol glycol carbonate

Structural Information

Molecular Formula

C₁₃H₂₄O₄

SMILES

CC1CCC(C(C1)OC(=O)OCCO)C(C)C

InChI

InChI=1S/C13H24O4/c1-9(2)11-5-4-10(3)8-12(11)17-13(15)16-7-6-14/h9-12,14H,4-8H2,1-3H3

InChIKey

JFKCVAZSEWPOIX-UHFFFAOYSA-N

Compound name

2-hydroxyethyl (5-methyl-2-propan-2-ylcyclohexyl) carbonate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 4
References: 1723
Patents: 244.16747 Da
Monoisotopic Mass: 3.3
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]+	245.174746	158.6
[M+Na]+	267.156688	162.5
[M-H]-	243.160194	159.8
[M+NH4]+	262.201293	175.5
[M+K]+	283.130628	161.9
[M+H-H2O]+	227.164730	152.8
[M+HCOO]-	289.165671	175.1
[M+CH3COO]-	303.181321	192.0
[M+Na-2H]-	265.142136	157.5
[M]+	244.16692142	158.3
[M]-	244.16801858	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe