CID 6430050

11-methyltetracosane

Structural Information

Molecular Formula

C₂₅H₅₂

SMILES

CCCCCCCCCCCCCC(C)CCCCCCCCCC

InChI

InChI=1S/C25H52/c1-4-6-8-10-12-14-15-16-18-20-22-24-25(3)23-21-19-17-13-11-9-7-5-2/h25H,4-24H2,1-3H3

InChIKey

ROVQLBOPXKELIT-UHFFFAOYSA-N

Compound name

11-methyltetracosane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 352.4069 Da
Monoisotopic Mass: 13.5
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]+	353.41418	205.6
[M+Na]+	375.39612	204.7
[M-H]-	351.39962	202.3
[M+NH4]+	370.44072	219.0
[M+K]+	391.37006	199.9
[M+H-H2O]+	335.40416	197.8
[M+HCOO]-	397.40510	222.0
[M+CH3COO]-	411.42075	225.2
[M+Na-2H]-	373.38157	201.1
[M]+	352.40635	213.4
[M]-	352.40745	213.4

Literature stripe

literature stripe

Patent stripe

patents stripe