CID 64147069

1404736-14-6

Structural Information

Molecular Formula
C12H23NO4
SMILES
CCC(C)CC(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO4/c1-6-8(2)7-9(10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKey
MWOMAVYZRMNVDD-UHFFFAOYSA-N
Compound name
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1627 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.169976 159.8
[M+Na]+ 268.151918 163.5
[M-H]- 244.155424 158.2
[M+NH4]+ 263.196523 176.2
[M+K]+ 284.125858 164.0
[M+H-H2O]+ 228.159960 154.7
[M+HCOO]- 290.160901 177.1
[M+CH3COO]- 304.176551 195.6
[M+Na-2H]- 266.137366 159.4
[M]+ 245.16215142 161.7
[M]- 245.16324858 161.7
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.