CID 252477

2-aminotetradecanoic acid

Structural Information

Molecular Formula

C₁₄H₂₉NO₂

SMILES

CCCCCCCCCCCCC(C(=O)O)N

InChI

InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13H,2-12,15H2,1H3,(H,16,17)

InChIKey

BVXKPGXJOLWHFI-UHFFFAOYSA-N

Compound name

2-aminotetradecanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 283
Patents: 243.21983 Da
Monoisotopic Mass: 2.8
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]+	244.22711	166.2
[M+Na]+	266.20905	168.6
[M-H]-	242.21255	163.1
[M+NH4]+	261.25365	182.4
[M+K]+	282.18299	166.2
[M+H-H2O]+	226.21709	159.9
[M+HCOO]-	288.21803	184.9
[M+CH3COO]-	302.23368	197.6
[M+Na-2H]-	264.19450	165.0
[M]+	243.21928	167.6
[M]-	243.22038	167.6

Literature stripe

literature stripe

Patent stripe

patents stripe