CID 14420089

Ethyl (2r)-2-{[(tert-butoxy)carbonyl]amino}butanoate

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC[C@H](C(=O)OCC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO4/c1-6-8(9(13)15-7-2)12-10(14)16-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,14)/t8-/m1/s1
InChIKey
JFAPXRSEKIGSOM-MRVPVSSYSA-N
Compound name
ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

231.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 155.1
[M+Na]+ 254.13628 159.9
[M-H]- 230.13978 155.1
[M+NH4]+ 249.18088 173.0
[M+K]+ 270.11022 161.1
[M+H-H2O]+ 214.14432 149.9
[M+HCOO]- 276.14526 175.3
[M+CH3COO]- 290.16091 193.5
[M+Na-2H]- 252.12173 157.0
[M]+ 231.14651 159.2
[M]- 231.14761 159.2
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

patents stripe