CID 177788482

3-{[(tert-butoxy)carbonyl]amino}-3-methylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC1(CC(C1)C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-11(4)5-7(6-11)8(13)14/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKey
MUECHSWQXKXVDV-UHFFFAOYSA-N
Compound name
3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13141 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 156.2
[M+Na]+ 252.12063 159.9
[M-H]- 228.12413 158.2
[M+NH4]+ 247.16523 168.7
[M+K]+ 268.09457 163.1
[M+H-H2O]+ 212.12867 146.9
[M+HCOO]- 274.12961 173.6
[M+CH3COO]- 288.14526 192.7
[M+Na-2H]- 250.10608 158.6
[M]+ 229.13086 165.2
[M]- 229.13196 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.