CID 66545691

220145-21-1

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)NCC1(CCC1)C(=O)O
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-7-11(8(13)14)5-4-6-11/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
UXJRREDAVXPWRL-UHFFFAOYSA-N
Compound name
1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

229.13141 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 156.9
[M+Na]+ 252.12063 159.7
[M-H]- 228.12413 158.5
[M+NH4]+ 247.16523 169.0
[M+K]+ 268.09457 162.8
[M+H-H2O]+ 212.12867 147.2
[M+HCOO]- 274.12961 174.2
[M+CH3COO]- 288.14526 191.5
[M+Na-2H]- 250.10608 159.8
[M]+ 229.13086 165.4
[M]- 229.13196 165.4
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

patents stripe