CID 16771

Glycine, n-dodecyl-

Structural Information

Molecular Formula

C₁₄H₂₉NO₂

SMILES

CCCCCCCCCCCCNCC(=O)O

InChI

InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14(16)17/h15H,2-13H2,1H3,(H,16,17)

InChIKey

LNPHVNNRZGCOBK-UHFFFAOYSA-N

Compound name

2-(dodecylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 958
Patents: 243.21983 Da
Monoisotopic Mass: 2.7
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	164.9
[M+Na]+	266.20905	167.5
[M-H]-	242.21255	162.2
[M+NH4]+	261.25365	181.4
[M+K]+	282.18299	165.0
[M+H-H2O]+	226.21709	158.5
[M+HCOO]-	288.21803	185.2
[M+CH3COO]-	302.23368	197.4
[M+Na-2H]-	264.19450	166.1
[M]+	243.21928	168.0
[M]-	243.22038	168.0

Literature stripe

literature stripe

Patent stripe

patents stripe