CID 15108504

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

Structural Information

Molecular Formula
C11H21NO4
SMILES
CCC(CC)(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO4/c1-6-11(7-2,8(13)14)12-9(15)16-10(3,4)5/h6-7H2,1-5H3,(H,12,15)(H,13,14)
InChIKey
BYPQXUYSPTXBGE-UHFFFAOYSA-N
Compound name
2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

231.14706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.154336 154.2
[M+Na]+ 254.136278 159.1
[M-H]- 230.139784 152.9
[M+NH4]+ 249.180883 171.4
[M+K]+ 270.110218 159.3
[M+H-H2O]+ 214.144320 149.8
[M+HCOO]- 276.145261 172.2
[M+CH3COO]- 290.160911 191.1
[M+Na-2H]- 252.121726 157.9
[M]+ 231.14651142 156.5
[M]- 231.14760858 156.5
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

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