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]+ 260.18562 162.8
[M+Na]+ 282.16756 166.8
[M-H]- 258.17106 161.3
[M+NH4]+ 277.21216 179.0
[M+K]+ 298.14150 167.1
[M+H-H2O]+ 242.17560 158.3
[M+HCOO]- 304.17654 179.2
[M+CH3COO]- 318.19219 197.4
[M+Na-2H]- 280.15301 164.4
[M]+ 259.17779 165.2
[M]- 259.17889 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.