CID 15069616

2361852-29-9

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

CC(COCC(=O)O)N

InChI

InChI=1S/C5H11NO3/c1-4(6)2-9-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)

InChIKey

WFMIBUGHYJBYJX-UHFFFAOYSA-N

Compound name

2-(2-aminopropoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 133.0739 Da
Monoisotopic Mass: -3.1
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]+	134.081176	127.7
[M+Na]+	156.063118	133.8
[M-H]-	132.066624	126.2
[M+NH4]+	151.107723	148.2
[M+K]+	172.037058	134.2
[M+H-H2O]+	116.071160	122.8
[M+HCOO]-	178.072101	149.6
[M+CH3COO]-	192.087751	172.5
[M+Na-2H]-	154.048566	131.2
[M]+	133.07335142	127.1
[M]-	133.07444858	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe