CID 66860022

1779745-51-5

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC1(C(CC1NC(=O)OC(C)(C)C)C(=O)O)C
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-8-6-7(9(14)15)12(8,4)5/h7-8H,6H2,1-5H3,(H,13,16)(H,14,15)
InChIKey
AOJXKOSBUVHAIA-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

243.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 163.0
[M+Na]+ 266.13628 165.3
[M+NH4]+ 261.18088 165.2
[M+K]+ 282.11022 163.1
[M-H]- 242.13978 158.3
[M+Na-2H]- 264.12173 162.3
[M]+ 243.14651 160.6
[M]- 243.14761 160.6
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