CID 105507016

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

Structural Information

Molecular Formula
C11H21NO5
SMILES
CC(C)CC(C(=O)O)ONC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO5/c1-7(2)6-8(9(13)14)17-12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)
InChIKey
VISUHONLYVGLKN-UHFFFAOYSA-N
Compound name
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.14197 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14925 157.5
[M+Na]+ 270.13119 161.5
[M-H]- 246.13469 156.1
[M+NH4]+ 265.17579 173.8
[M+K]+ 286.10513 162.9
[M+H-H2O]+ 230.13923 152.4
[M+HCOO]- 292.14017 175.4
[M+CH3COO]- 306.15582 194.7
[M+Na-2H]- 268.11664 157.9
[M]+ 247.14142 160.5
[M]- 247.14252 160.5
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.