CID 106548

2,2-bis(hydroxymethyl)butyl 6-aminohexanoate

Structural Information

Molecular Formula
C12H25NO4
SMILES
CCC(CO)(CO)COC(=O)CCCCCN
InChI
InChI=1S/C12H25NO4/c1-2-12(8-14,9-15)10-17-11(16)6-4-3-5-7-13/h14-15H,2-10,13H2,1H3
InChIKey
DWVOZKAOIUGQCB-UHFFFAOYSA-N
Compound name
2,2-bis(hydroxymethyl)butyl 6-aminohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.17836 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.18564 160.2
[M+Na]+ 270.16758 165.3
[M+NH4]+ 265.21218 164.2
[M+K]+ 286.14152 162.3
[M-H]- 246.17108 156.2
[M+Na-2H]- 268.15303 159.3
[M]+ 247.17781 159.2
[M]- 247.17891 159.2
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

No patent data available for this compound.