CID 362707

(3-aminopropoxy)acetic acid

Structural Information

Molecular Formula
C5H11NO3
SMILES
C(CN)COCC(=O)O
InChI
InChI=1S/C5H11NO3/c6-2-1-3-9-4-5(7)8/h1-4,6H2,(H,7,8)
InChIKey
PQRFOXXNMIPQFX-UHFFFAOYSA-N
Compound name
2-(3-aminopropoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

133.0739 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.081176 127.0
[M+Na]+ 156.063118 133.3
[M-H]- 132.066624 125.4
[M+NH4]+ 151.107723 147.6
[M+K]+ 172.037058 133.2
[M+H-H2O]+ 116.071160 122.1
[M+HCOO]- 178.072101 149.9
[M+CH3COO]- 192.087751 171.6
[M+Na-2H]- 154.048566 131.9
[M]+ 133.07335142 127.1
[M]- 133.07444858 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe