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

11
Patents

231.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.154336 155.1
[M+Na]+ 254.136278 159.9
[M-H]- 230.139784 155.1
[M+NH4]+ 249.180883 173.0
[M+K]+ 270.110218 161.1
[M+H-H2O]+ 214.144320 149.9
[M+HCOO]- 276.145261 175.3
[M+CH3COO]- 290.160911 193.5
[M+Na-2H]- 252.121726 157.0
[M]+ 231.14651142 159.2
[M]- 231.14760858 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