CID 79872

5807-09-0

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

C1COCCN1CCCC(=O)O

InChI

InChI=1S/C8H15NO3/c10-8(11)2-1-3-9-4-6-12-7-5-9/h1-7H2,(H,10,11)

InChIKey

PNHMBKXVXNJADT-UHFFFAOYSA-N

Compound name

4-morpholin-4-ylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 467
Patents: 173.1052 Da
Monoisotopic Mass: -2.5
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]+	174.112476	138.4
[M+Na]+	196.094418	142.7
[M-H]-	172.097924	138.8
[M+NH4]+	191.139023	154.9
[M+K]+	212.068358	143.0
[M+H-H2O]+	156.102460	131.8
[M+HCOO]-	218.103401	155.1
[M+CH3COO]-	232.119051	175.4
[M+Na-2H]-	194.079866	143.4
[M]+	173.10465142	135.9
[M]-	173.10574858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe