CID 11681493

94089-18-6

Structural Information

Molecular Formula
C15H25NO7
SMILES
CC(=O)OCCCNC(=O)[C@@H](C(C)(C)COC(=O)C)OC(=O)C
InChI
InChI=1S/C15H25NO7/c1-10(17)21-8-6-7-16-14(20)13(23-12(3)19)15(4,5)9-22-11(2)18/h13H,6-9H2,1-5H3,(H,16,20)/t13-/m0/s1
InChIKey
IFYVAPPYWOMVDP-ZDUSSCGKSA-N
Compound name
3-[[(2R)-2,4-diacetyloxy-3,3-dimethylbutanoyl]amino]propyl acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2785
Patents

331.16312 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.17040 176.0
[M+Na]+ 354.15234 178.9
[M-H]- 330.15584 175.3
[M+NH4]+ 349.19694 195.6
[M+K]+ 370.12628 180.8
[M+H-H2O]+ 314.16038 170.0
[M+HCOO]- 376.16132 192.8
[M+CH3COO]- 390.17697 211.8
[M+Na-2H]- 352.13779 174.4
[M]+ 331.16257 183.3
[M]- 331.16367 183.3
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