CID 57901000

3-[2-(3-aminopropoxy)ethoxy]propanoic acid

Structural Information

Molecular Formula
C8H17NO4
SMILES
C(CN)COCCOCCC(=O)O
InChI
InChI=1S/C8H17NO4/c9-3-1-4-12-6-7-13-5-2-8(10)11/h1-7,9H2,(H,10,11)
InChIKey
VTVICNBGVRIANL-UHFFFAOYSA-N
Compound name
3-[2-(3-aminopropoxy)ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

191.11575 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.123026 143.0
[M+Na]+ 214.104968 147.9
[M-H]- 190.108474 140.8
[M+NH4]+ 209.149573 161.1
[M+K]+ 230.078908 147.6
[M+H-H2O]+ 174.113010 137.2
[M+HCOO]- 236.113951 165.1
[M+CH3COO]- 250.129601 182.8
[M+Na-2H]- 212.090416 146.4
[M]+ 191.11520142 145.7
[M]- 191.11629858 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe