CID 11011022

2-((tert-butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid

Structural Information

Molecular Formula
C10H17NO6
SMILES
CCOC(=O)C(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H17NO6/c1-5-16-8(14)6(7(12)13)11-9(15)17-10(2,3)4/h6H,5H2,1-4H3,(H,11,15)(H,12,13)
InChIKey
JLNKUZUBBRTYOA-UHFFFAOYSA-N
Compound name
3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

247.10559 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11287 153.7
[M+Na]+ 270.09481 158.3
[M-H]- 246.09831 152.4
[M+NH4]+ 265.13941 169.8
[M+K]+ 286.06875 159.9
[M+H-H2O]+ 230.10285 148.6
[M+HCOO]- 292.10379 172.3
[M+CH3COO]- 306.11944 192.3
[M+Na-2H]- 268.08026 154.8
[M]+ 247.10504 157.0
[M]- 247.10614 157.0
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