CID 10927842

Aminotriester

Structural Information

Molecular Formula
C22H41NO6
SMILES
CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)N
InChI
InChI=1S/C22H41NO6/c1-19(2,3)27-16(24)10-13-22(23,14-11-17(25)28-20(4,5)6)15-12-18(26)29-21(7,8)9/h10-15,23H2,1-9H3
InChIKey
PFFIXGHIRWJVRO-UHFFFAOYSA-N
Compound name
ditert-butyl 4-amino-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

284
Patents

415.2934 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.30068 214.3
[M+Na]+ 438.28262 220.1
[M+NH4]+ 433.32722 196.7
[M+K]+ 454.25656 227.1
[M-H]- 414.28612 187.2
[M+Na-2H]- 436.26807 209.9
[M]+ 415.29285 216.3
[M]- 415.29395 216.3
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