CID 17750133

6-(aminooxy)hexanoic acid hydrochloride

Structural Information

Molecular Formula
C6H13NO3
SMILES
C(CCC(=O)O)CCON
InChI
InChI=1S/C6H13NO3/c7-10-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
InChIKey
JCAJRGMRJKDWLS-UHFFFAOYSA-N
Compound name
6-aminooxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

147.08954 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.096816 131.6
[M+Na]+ 170.078758 137.5
[M-H]- 146.082264 129.8
[M+NH4]+ 165.123363 151.6
[M+K]+ 186.052698 137.1
[M+H-H2O]+ 130.086800 126.5
[M+HCOO]- 192.087741 154.2
[M+CH3COO]- 206.103391 174.6
[M+Na-2H]- 168.064206 136.0
[M]+ 147.08899142 132.1
[M]- 147.09008858 132.1
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