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]+ 246.16998 159.0
[M+Na]+ 268.15192 162.5
[M-H]- 244.15542 157.6
[M+NH4]+ 263.19652 175.4
[M+K]+ 284.12586 163.7
[M+H-H2O]+ 228.15996 154.2
[M+HCOO]- 290.16090 175.4
[M+CH3COO]- 304.17655 196.6
[M+Na-2H]- 266.13737 157.5
[M]+ 245.16215 160.3
[M]- 245.16325 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.