CID 127020093

1869638-67-4

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC(C)C(C)C(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO4/c1-7(2)8(3)9(10(14)15)13-11(16)17-12(4,5)6/h7-9H,1-6H3,(H,13,16)(H,14,15)
InChIKey
TZRZWXQCEBWGKY-UHFFFAOYSA-N
Compound name
3,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1627 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.169976 159.0
[M+Na]+ 268.151918 162.5
[M-H]- 244.155424 157.6
[M+NH4]+ 263.196523 175.4
[M+K]+ 284.125858 163.7
[M+H-H2O]+ 228.159960 154.2
[M+HCOO]- 290.160901 175.4
[M+CH3COO]- 304.176551 196.6
[M+Na-2H]- 266.137366 157.5
[M]+ 245.16215142 160.3
[M]- 245.16324858 160.3
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.