CID 138000515

2241129-80-4

Structural Information

Molecular Formula
C11H17NO6
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)C(=O)O)C(=O)O
InChI
InChI=1S/C11H17NO6/c1-10(2,3)18-9(17)12-11(8(15)16)4-6(5-11)7(13)14/h6H,4-5H2,1-3H3,(H,12,17)(H,13,14)(H,15,16)
InChIKey
OGMUHTKXSDCIBN-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1056 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11288 161.7
[M+Na]+ 282.09482 164.2
[M-H]- 258.09832 162.0
[M+NH4]+ 277.13942 171.6
[M+K]+ 298.06876 168.0
[M+H-H2O]+ 242.10286 152.0
[M+HCOO]- 304.10380 176.9
[M+CH3COO]- 318.11945 194.8
[M+Na-2H]- 280.08027 162.5
[M]+ 259.10505 170.1
[M]- 259.10615 170.1
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.