CID 198358

57272-19-2

Structural Information

Molecular Formula

C₁₅H₂₉ClO₂

SMILES

CC(C)CCCC(C)CCCC(C)C(C(=O)O)Cl

InChI

InChI=1S/C15H29ClO2/c1-11(2)7-5-8-12(3)9-6-10-13(4)14(16)15(17)18/h11-14H,5-10H2,1-4H3,(H,17,18)

InChIKey

GLWVOEPGNYDVHT-UHFFFAOYSA-N

Compound name

2-chloro-3,7,11-trimethyldodecanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 276.1856 Da
Monoisotopic Mass: 6.4
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]+	277.19288	170.4
[M+Na]+	299.17482	173.7
[M-H]-	275.17832	168.2
[M+NH4]+	294.21942	186.8
[M+K]+	315.14876	170.6
[M+H-H2O]+	259.18286	166.1
[M+HCOO]-	321.18380	181.3
[M+CH3COO]-	335.19945	202.6
[M+Na-2H]-	297.16027	165.8
[M]+	276.18505	174.2
[M]-	276.18615	174.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe