CID 4306222

153039-17-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

231.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 154.3
[M+Na]+ 254.13628 160.0
[M+NH4]+ 249.18088 158.4
[M+K]+ 270.11022 158.7
[M-H]- 230.13978 150.1
[M+Na-2H]- 252.12173 154.3
[M]+ 231.14651 153.4
[M]- 231.14761 153.4
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