CID 91646200

1694853-66-1

Structural Information

Molecular Formula
C13H25NO4
SMILES
CC(C)(C)CC(CNC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C13H25NO4/c1-12(2,3)7-9(10(15)16)8-14-11(17)18-13(4,5)6/h9H,7-8H2,1-6H3,(H,14,17)(H,15,16)
InChIKey
GNXVWBCBVJMWHV-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.17834 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.185616 162.8
[M+Na]+ 282.167558 166.8
[M-H]- 258.171064 161.3
[M+NH4]+ 277.212163 179.0
[M+K]+ 298.141498 167.1
[M+H-H2O]+ 242.175600 158.3
[M+HCOO]- 304.176541 179.2
[M+CH3COO]- 318.192191 197.4
[M+Na-2H]- 280.153006 164.4
[M]+ 259.17779142 165.2
[M]- 259.17888858 165.2
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.