CID 454092

N-undecanoylglycine

Structural Information

Molecular Formula

C₁₃H₂₅NO₃

SMILES

CCCCCCCCCCC(=O)NCC(=O)O

InChI

InChI=1S/C13H25NO3/c1-2-3-4-5-6-7-8-9-10-12(15)14-11-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)

InChIKey

HEUQYIQQCNOXOG-UHFFFAOYSA-N

Compound name

2-(undecanoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 652
Patents: 243.18344 Da
Monoisotopic Mass: 3.8
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]+	244.19072	161.5
[M+Na]+	266.17266	167.8
[M+NH4]+	261.21726	166.3
[M+K]+	282.14660	162.9
[M-H]-	242.17616	159.0
[M+Na-2H]-	264.15811	161.5
[M]+	243.18289	161.1
[M]-	243.18399	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe