CID 64146033

2-{[(tert-butoxy)carbonyl]amino}-4-ethoxybutanoic acid

Structural Information

Molecular Formula
C11H21NO5
SMILES
CCOCCC(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO5/c1-5-16-7-6-8(9(13)14)12-10(15)17-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKey
SFKBSHLRLKFMHB-UHFFFAOYSA-N
Compound name
4-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.14197 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14925 157.4
[M+Na]+ 270.13119 162.5
[M+NH4]+ 265.17579 161.0
[M+K]+ 286.10513 161.4
[M-H]- 246.13469 153.0
[M+Na-2H]- 268.11664 156.6
[M]+ 247.14142 156.2
[M]- 247.14252 156.2
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

No patent data available for this compound.