CID 46937089

Methyl (3s)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO5/c1-7(13)8(6-9(14)16-5)12-10(15)17-11(2,3)4/h8H,6H2,1-5H3,(H,12,15)/t8-/m0/s1
InChIKey
QKEQESWFLCEUCV-QMMMGPOBSA-N
Compound name
methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.12633 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.133606 155.3
[M+Na]+ 268.115548 160.1
[M-H]- 244.119054 155.4
[M+NH4]+ 263.160153 172.4
[M+K]+ 284.089488 161.8
[M+H-H2O]+ 228.123590 150.2
[M+HCOO]- 290.124531 174.9
[M+CH3COO]- 304.140181 195.6
[M+Na-2H]- 266.100996 156.3
[M]+ 245.12578142 159.5
[M]- 245.12687858 159.5
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

No patent data available for this compound.