CID 16218573

Tert-butyl 12-amino-4,7,10-trioxadodecanoate

Structural Information

Molecular Formula
C13H27NO5
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCN
InChI
InChI=1S/C13H27NO5/c1-13(2,3)19-12(15)4-6-16-8-10-18-11-9-17-7-5-14/h4-11,14H2,1-3H3
InChIKey
CWFSAZJIJBTKRC-UHFFFAOYSA-N
Compound name
tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

620
Patents

277.18893 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19621 168.3
[M+Na]+ 300.17815 172.0
[M-H]- 276.18165 166.9
[M+NH4]+ 295.22275 183.9
[M+K]+ 316.15209 172.4
[M+H-H2O]+ 260.18619 161.9
[M+HCOO]- 322.18713 189.0
[M+CH3COO]- 336.20278 201.4
[M+Na-2H]- 298.16360 170.6
[M]+ 277.18838 175.6
[M]- 277.18948 175.6
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