CID 10980878

Methyl (2s)-2-{bis[(tert-butoxy)carbonyl]amino}-5-oxopentanoate

Structural Information

Molecular Formula
C16H27NO7
SMILES
CC(C)(C)OC(=O)N([C@@H](CCC=O)C(=O)OC)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H27NO7/c1-15(2,3)23-13(20)17(14(21)24-16(4,5)6)11(9-8-10-18)12(19)22-7/h10-11H,8-9H2,1-7H3/t11-/m0/s1
InChIKey
WEDVERRTEUYROC-NSHDSACASA-N
Compound name
methyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

75
Patents

345.17874 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.18602 177.2
[M+Na]+ 368.16796 198.7
[M-H]- 344.17146 194.7
[M+NH4]+ 363.21256 201.5
[M+K]+ 384.14190 184.1
[M+H-H2O]+ 328.17600 172.0
[M+HCOO]- 390.17694 197.3
[M+CH3COO]- 404.19259 215.5
[M+Na-2H]- 366.15341 177.3
[M]+ 345.17819 191.1
[M]- 345.17929 191.1
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