CID 145874675

2375259-31-5

Structural Information

Molecular Formula
C12H19NO6
SMILES
CC(C)(C)OC(=O)NC(C1CC(C1)C(=O)O)C(=O)O
InChI
InChI=1S/C12H19NO6/c1-12(2,3)19-11(18)13-8(10(16)17)6-4-7(5-6)9(14)15/h6-8H,4-5H2,1-3H3,(H,13,18)(H,14,15)(H,16,17)
InChIKey
PTDKHKHMIYCGRG-UHFFFAOYSA-N
Compound name
3-[carboxy-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.12125 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12853 170.5
[M+Na]+ 296.11047 170.1
[M+NH4]+ 291.15507 169.2
[M+K]+ 312.08441 172.1
[M-H]- 272.11397 163.5
[M+Na-2H]- 294.09592 165.9
[M]+ 273.12070 166.5
[M]- 273.12180 166.5
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.